Isobutyl cyanoacetate
Suppliers
Names
[ CAS No. ]:
13361-31-4
[ Name ]:
Isobutyl cyanoacetate
[Synonym ]:
2-methylpropyl 2-cyanoacetate
Isobutyl cyanoacetate
Cyanoacetic Acid Isobutyl Ester
EINECS 236-422-9
MFCD00044320
Isobutyl 2-cyanoacetate
Chemical & Physical Properties
[ Density]:
0.99
[ Boiling Point ]:
112 °C (16 mmHg)
[ Melting Point ]:
-26ºC
[ Molecular Formula ]:
C7H11NO2
[ Molecular Weight ]:
141.16800
[ Flash Point ]:
106 °C
[ Exact Mass ]:
141.07900
[ PSA ]:
50.09000
[ LogP ]:
1.09928
[ Vapour Pressure ]:
0.304mmHg at 25°C
[ Index of Refraction ]:
1.4212-1.4232
[ Water Solubility ]:
IMMISCIBLE
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AG4250000
- CHEMICAL NAME :
- Acetic acid, cyano-, isobutyl ester
- CAS REGISTRY NUMBER :
- 13361-31-4
- BEILSTEIN REFERENCE NO. :
- 1761677
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H11-N-O2
- MOLECULAR WEIGHT :
- 141.19
- WISWESSER LINE NOTATION :
- NC1VO1Y1&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4520 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- LONZA# Personal Communication from LONZA Ltd., CH-4002, Basel, Switzerland Volume(issue)/page/year: 13FEB1981
Safety Information
[ Hazard Codes ]:
Xi:Irritant;
[ Risk Phrases ]:
R36/37/38
[ RTECS ]:
AG4250000
[ HS Code ]:
2926909090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%