perylene
CAS No.: 198-55-0 Formula: C20H12 Molecular Weight: 252.30900
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perylene

CAS No.: 198-55-0 Formula: C20H12 Molecular Weight: 252.30900
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Description

Perylene has been used as an acceptor for pristine C70 to be used as a sensitizer for efficient triplet-triplet annihilation upconversion; which has shown improved stability under continuous laser irradiation compared to the benchmark Pt(II)-ocetaethylprphyrin. Perylene has also been used as a dopant representing blue fluorescent dye on a white-emitting polymer film.

Basic Info

Chemical Name perylene
Synonyms

Peri-dinaphthalene; Perilene; Perylene; Dibenz[de,kl]anthracene;

CAS No. 198-55-0
Molecular Formula C20H12
Molecular Weight 252.30900
PSA 0.00000
LogP 5.73720

Properties

Appearance & Physical State yellow powder
Density 1.286 g/cm3
Boiling Point 467.5ºC at 760 mmHg
Melting Point 277-280ºC
Flash Point 228.6ºC
Refractive Index 1.887
Stability Stable. Incompatible with strong oxidizing agents. Combustible.
Storage Condition 2-8ºC
Vapor Pressure 1.81E-08mmHg at 25°C

Safety Info

Hazard Class 6.1(b)
Safety Statements S36/37-S45
HS Code 29029080
WGK Germany 3
Packing Group III
RIDADR UN 2811
Risk Statements R40
Hazard Codes Xn
Symbol GHS07, GHS08
Signal Word Warning
Hazard Declaration H315; H319; H335; H336; H351; H373
Caution Statement P261; P281; P305 + P351 + P338
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SDS 1.0

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name perylene

1.2 Other means of identification

Product number -
Other names Peri-dinaphthalene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company XiXisys.com
Address XiXisys.com
Telephone XiXisys.com
Fax XiXisys.com

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
perylene perylene 198-55-0 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

4.3 Indication of immediate medical attention and special treatment needed, if necessary

/SRP:/ Immediate First Aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Aromatic hydrocarbons and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Avoid dust formation. Avoid breathing vapors, mist or gas. Environmental precautions: No special environmental precautions required. Methods and materials for containment and cleaning up: Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Keep container tightly closed in a dry and well-ventilated place. Handle and store under inert gas. Storage class (TRGS 510): Non Combustible Solids.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 0.1 mg/cu m (cyclohexane-extractable fraction). /Coal tar pitch volatiles/

NIOSH considers coal tar pitch volatiles to be potential occupational carcinogens. NIOSH usually recommends that occupational exposures to carcinogens be limited to the lowest feasible concentration. /Coal tar pitch volatiles/

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state yellow powder
Colour Yellow to colorless crystals from toluene
Odour no data available
Melting point/ freezing point 118°C(dec.)(lit.)
Boiling point or initial boiling point and boiling range 299°C(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 47°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water, 0.0004 mg/L at 25°C
Partition coefficient n-octanol/water (log value) log Kow = 6.30
Vapour pressure 1.81E-08mmHg at 25°C
Density and/or relative density 1.286 g/cm3
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Incompatible materials: Strong oxidizing agents.

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and irritating fumes.

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

OVERALL EVALUATION: Group 3: The agent is not classifiable as to its carcinogenicity to humans.

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: In a freshwater sediment sample taken from Colgate Creek, Maryland, 20-26% perylene was utilized by bacteria after 28 days(1); in a marine-water sediment sample taken from Eastern Bay, Maryland, 3-10% perylene was utilized by bacteria after 28 days(1). After 1,280 days, 59.5% of an initial concentration of perylene (3.1 ug/g) remained in a soil treated with oil sludge at a concentration of 28.0 ug/g(2). Perylene was 0.02% degraded in soil after 30 days(3). Perylene, at a concentration of 0.05 ppm in the presence of 0.05 mg/L activated sludge, produced <0.1 percent carbon dioxide in 5 days(4). No biodegradation of perylene was observed within 16 months in sandy loam soil in the dark at 20°C(5). After 287 days of incubation, 22.0-42.1% of initial 5-7 ring PAHs (including perylene) disappeared from three non-sterilized soils(6). Bioremediation studies in field soil plots found that five and six rings PAHS, including perylene, had <10% removal after 1 year of bioremediation(7).

12.3 Bioaccumulative potential

An estimated BCF of 6700 was calculated in fish for perylene(SRC), using a log Kow of 6.30(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is very high(SRC), provided the compound is not metabolized by the organism(SRC). However, perylene may not bioconcentrate in aquatic organisms which contain microsomal oxidase, such as fish, as this enzyme enables the rapid metabolism of certain polycyclic aromatic hydrocarbons(4). A measured fish biotransformation half-life of 0.87 days has been reported for perylene(5). The bioaccumulation factor of perylene in golden ide fish (Leuciscus idus melanotus) was determined to be <10 after 3 days, the bioaccumulation factor of perylene in algae (Chlorella fusca) was determined to be 2,010 after 1 day, and the bioaccumulation factor of perylene in activated sludge was determined to be 22,900 after 5 days(6). Perylene was shown to bioaccumulate in worms exposed to contaminated sediment over a 4 week incubation period, reaching a max concentration of 227 ng/g(7). The bioconcentration factor for perylene in the Daphnid Pulex was determined to be 7,079(8). The half-life of perylene in rainbow trout, clams, mussels, oysters, and shrimp averaged 2, 4.3-26.2, 6.3-13.3, 9.2 and 1.2 days, respectively(9). The bioconcentration factor of perylene in polychaete worms was determined to be 16 (polychaeta dry wt/sediments dry wt) in Prionospio cirrifera/ Spiochaetpoterus costarum and 0.4 (polychaeta dry wt/sediments dry wt) in Capitella capitata(10).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of perylene can be estimated to be 6.0X10+5(SRC). The Koc of perylene in 16 historically contaminated sediments ranged from 3.4X10+5 to 3.2X10+7 with a mean of 6.9X10+6(2). According to a classification scheme(3), these Koc values suggest that perylene is expected to be immobile in soil.

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.2 UN Proper Shipping Name

ADR/RID: unknown
IMDG: unknown
IATA: unknown

14.3 Transport hazard class(es)

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.4 Packing group, if applicable

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
perylene perylene 198-55-0 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 11, 2017
Revision Date Aug 11, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
MSDS Expand
1H NMR : 400 MHz in CDCl3Expand

NMR Spectrum 1H NMR : 400 MHz in CDCl3

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C20 H12 saturated in CDCl3
perylene

Assign. Shift(ppm)
A 8.188
B 7.678
C 7.479

J(A,C)=J(B,C)=7.6HZ.

IR : KBr discExpand
Mass Expand
ESR : CATION RADICALExpand
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