Isopropyl 2-cyanoacetate
CAS No.: 13361-30-3 Formula: C6H9NO2 Molecular Weight: 127.14100
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Isopropyl 2-cyanoacetate

CAS No.: 13361-30-3 Formula: C6H9NO2 Molecular Weight: 127.14100
Suppliers: All (78) China Suppliers (41) Price Available (18) Contractor (3)

Basic Info

Chemical Name Isopropyl 2-cyanoacetate
Synonyms

Cyanoacetic Acid Isopropyl Ester; Isopropyl cyanoacetate; propan-2-yl 2-cyanoacetate;

CAS No. 13361-30-3
Molecular Formula C6H9NO2
Molecular Weight 127.14100
PSA 50.09000
LogP 0.85168

Numbering system

EINECS number 236-421-3
BRN number 1756014
RTECS number AG4270000
PubChem number 24857163
MDL number MFCD00019842

Properties

Density 1.013
Boiling Point 207ºC
Flash Point 78.9ºC
Refractive Index 1.416
Vapor Pressure 0.441mmHg at 25°C

Safety Info

RTECS AG4270000
Safety Statements S23-S26-S36/37/39
HS Code 2926909090
WGK Germany 2
Risk Statements R36/37/38
Hazard Codes Xi
1H NMR : 400 MHz in CDCl3Expand

NMR Spectrum 1H NMR : 400 MHz in CDCl3

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C6 H9 N O2 0.05 ml : 0.5 ml CDCl3
isopropyl cyanoacetate

Assign. Shift(ppm)
A 5.088
B 3.472
C 1.303

Mass Expand
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Oral LD50 - Lethal dose, 50 percent kill Rodent - mouse 4960 mg/kg 1.Behavioral-somnolence (general depressed activity)
Oral LD50 - Lethal dose, 50 percent kill Rodent - rabbit 2500 mg/kg 1.Details of toxic effects not reported other than lethal dose value
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