Ethyl bromo(cyano)acetate

Modify Date: 2024-01-12 14:35:46

Ethyl bromo(cyano)acetate Structure
Ethyl bromo(cyano)acetate structure
 Common Name Ethyl bromo(cyano)acetate
CAS Number 1187-46-8 Molecular Weight 192.011
Density 1.6±0.1 g/cm3 Boiling Point 208.6±20.0 °C at 760 mmHg
Molecular Formula C5H6BrNO2 Melting Point N/A
MSDS N/A Flash Point 79.9±21.8 °C

 Names

Name Ethyl 2-bromo-2-cyanoacetate
Synonym More Synonyms

 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

Ethyl cyanoacetate structure

Ethyl cyanoacetate

CAS#:105-56-6

~96%

Ethyl bromo(cyano)acetate Structure

Ethyl bromo(cya...

CAS#:1187-46-8

Literature: Yamada, Yoichi; Yasuda, Heinosuke Synthesis, 1990 , # 9 p. 768 - 770
sodium salt of ethyl cyanoacetate structure

sodium salt of ...

CAS#:18852-51-2

~%

Ethyl bromo(cyano)acetate Structure

Ethyl bromo(cya...

CAS#:1187-46-8

Literature: Thorpe; Young Journal of the Chemical Society, 1900 , vol. 77, p. 941 Chem. News J. Ind. Sci., 1900 , vol. 81, p. 261
ethyl 3-(4-chlorophenyl)-2-cyanooxirane-2-carboxylate structure

ethyl 3-(4-chlo...

CAS#:35768-29-7

~%

Ethyl bromo(cyano)acetate Structure

Ethyl bromo(cya...

CAS#:1187-46-8

4-Chlorobenzaldehyde structure

4-Chlorobenzaldehyde

CAS#:104-88-1

Literature: Khamliche, Layachi; Robert, Albert; Bakkas, Salem Bulletin de la Societe Chimique de France, 1994 , vol. 131, p. 1031 - 1034
N/A structure

N/A

CAS#:134890-52-1

~%

Ethyl bromo(cyano)acetate Structure

Ethyl bromo(cya...

CAS#:1187-46-8

p-Tolualdehyde structure

p-Tolualdehyde

CAS#:104-87-0

Literature: Khamliche, Layachi; Robert, Albert; Bakkas, Salem Bulletin de la Societe Chimique de France, 1994 , vol. 131, p. 1031 - 1034
ethyl 2,2-dibromocyanoacetate structure

ethyl 2,2-dibro...

CAS#:13280-85-8

acrylic acid methyl ester structure

acrylic acid me...

CAS#:292638-85-8

~6%

Ethyl bromo(cyano)acetate Structure

Ethyl bromo(cya...

CAS#:1187-46-8

N/A structure

N/A

CAS#:125117-25-1

Detail
Literature: Chen, Chen; Liao, Yi; Huang, Yao-Zeng Tetrahedron, 1989 , vol. 45, # 10 p. 3011 - 3020

 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%

 Synonyms

Ethyl bromo(cyano)acetate
ethyl 2-bromo-2-cyanoacetate
Ethyl α-bromo-α-cyanoacetate
Acetic acid, 2-bromo-2-cyano-, ethyl ester
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