Propan-2-ylcyanacetat

Modify Date: 2024-01-08 17:35:52

Propan-2-ylcyanacetat Structure
Propan-2-ylcyanacetat structure
 Common Name Propan-2-ylcyanacetat
CAS Number 13361-30-3 Molecular Weight 127.141
Density 1.0±0.1 g/cm3 Boiling Point 194.5±8.0 °C at 760 mmHg
Molecular Formula C6H9NO2 Melting Point N/A
MSDS Chinese USA Flash Point 78.9±5.2 °C

 Names

Name Isopropyl 2-cyanoacetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 194.5±8.0 °C at 760 mmHg
Molecular Formula C6H9NO2
Molecular Weight 127.141
Flash Point 78.9±5.2 °C
Exact Mass 127.063332
PSA 50.09000
LogP 0.41
Vapour Pressure 0.4±0.4 mmHg at 25°C
Index of Refraction 1.419

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AG4270000
CHEMICAL NAME :
Acetic acid, cyano-, isopropyl ester
CAS REGISTRY NUMBER :
13361-30-3
BEILSTEIN REFERENCE NO. :
1756014
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H9-N-O2
MOLECULAR WEIGHT :
127.16
WISWESSER LINE NOTATION :
NC1VOY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4960 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
LONZA# Personal Communication from LONZA Ltd., CH-4002, Basel, Switzerland Volume(issue)/page/year: 13FEB1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
LONZA# Personal Communication from LONZA Ltd., CH-4002, Basel, Switzerland Volume(issue)/page/year: 13FEB1981

 Safety Information

Personal Protective Equipment Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S23-S24/25-S36/37/39-S26
WGK Germany 2
RTECS AG4270000
HS Code 2926909090

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Articles1

More Articles
Use of isopropyl alcohol as a solvent in Ti (O-i-Pr)4 catalyzed Knöevenagel reactions.

Tetrahedron 61(33) , 7981-7985, (2005)

 Synonyms

Propan-2-yl cyanoacetate
Propan-2-ylcyanacetat
Acetic acid, 2-cyano-, 1-methylethyl ester
Cyanoacetic Acid Isopropyl Ester
Isopropyl cyanoacetate
propan-2-yl 2-cyanoacetate
EINECS 236-421-3
MFCD00019842
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