Ethyl bromo(cyano)acetate

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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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl cyanoacetate
  • sodium salt of ethyl cyanoacetate
  • ethyl 3-(4-chlorophenyl)-2-cyanooxirane-2-carboxylate
  • acrylic acid methyl ester

DownStream

  • ethyl 2-cyano-2-quinolin-2-ylacetate
  • ETHYL ALPHA-CYANO-4-FLUOROCINNAMATE
  • Ethyl 2-cyano-4,4-diethoxybutyrate
  • Carbamothioic acid,N-phenyl-, O-ethyl ester
  • Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate
  • ETHYL2-CYANO-3-PHENYLACRYLATE
  • Ethyl (2E)-2-cyano-3-(4-methoxyphenyl)acrylate
  • 3,4-Diaminothieno[2,3-b]thiophene-2,5-dicarbonitrile
  • molecular iodine

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%

Related Compounds

  • n-butyryl hypobromite
  • ethyl bromo-[6-cyano-1,1-(ethylenedioxy)-5-oxo-1,2,3,5-tetrahydroindolizin-7-yl] acetate
  • Ethyl bromo(cyclopropyl)acetate
  • Ethyl bromo(nitro)acetate
  • ethyl bromo(diphenylphosphono)acetate
  • Ethyl acetamido(cyano)acetate