Ethyl bromo(cyano)acetate
Names
[ CAS No. ]:
1187-46-8
[ Name ]:
Ethyl bromo(cyano)acetate
[Synonym ]:
Ethyl bromo(cyano)acetate
ethyl 2-bromo-2-cyanoacetate
Ethyl α-bromo-α-cyanoacetate
Acetic acid, 2-bromo-2-cyano-, ethyl ester
Chemical & Physical Properties
[ Density]:
1.6±0.1 g/cm3
[ Boiling Point ]:
208.6±20.0 °C at 760 mmHg
[ Molecular Formula ]:
C5H6BrNO2
[ Molecular Weight ]:
192.011
[ Flash Point ]:
79.9±21.8 °C
[ Exact Mass ]:
190.958176
[ PSA ]:
50.09000
[ LogP ]:
1.38
[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C
[ Index of Refraction ]:
1.481
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AF5958000
- CHEMICAL NAME :
- Acetic acid, 2-bromo-2-cyano-, ethyl ester
- CAS REGISTRY NUMBER :
- 1187-46-8
- BEILSTEIN REFERENCE NO. :
- 1761604
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C5-H6-Br-N-O2
- MOLECULAR WEIGHT :
- 192.03
- WISWESSER LINE NOTATION :
- NCYEVO2
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 :
- 420 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Gastrointestinal - other changes
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570610
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00605
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 316 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570610
Safety Information
[ 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%