Methyl bromocrotonate

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Names

[ CAS No. ]:
1117-71-1

[ Name ]:
Methyl bromocrotonate

[Synonym ]:
Methyl (2E)-4-bromo-2-butenoate
TRANS-METHYL-4-BROMOCROTONATE
methyl (E)-4-bromo-2-butenoate
Methyl trans-4-bromocrotonate
(E)-4-bromo-2-butenoic acid methyl ester
4-Bromocrotonic Acid Methyl Ester
trans-4-Bromo-2-butenoic Acid Methyl Ester
methyl4-bromo-2-butenoate
methyl 4-bromo-crotonate
4-Bromo-2-butenoic acid methyl ester
Methyl trans-4-bromo-2-butenoate
(E)-4-Bromo-but-2-enoic acid methyl ester
methyl (2E)-4-bromobut-2-enoate
(E)-methyl-4-bromobut-2-enoate
EINECS 214-251-0
Methyl 4-bromocrotonate
Methyl bromocrotonate
MFCD00000246
2-Butenoic acid, 4-bromo-, methyl ester, (2E)-
Methyl 4-bromobut-2-enoate
Methyl (E)-4-bromobut-2-enoate
Methyl γ-bromocrotonate

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
198.5±0.0 °C at 760 mmHg

[ Molecular Formula ]:
C5H7BrO2

[ Molecular Weight ]:
179.012

[ Flash Point ]:
67.4±22.6 °C

[ Exact Mass ]:
177.962936

[ PSA ]:
26.30000

[ LogP ]:
1.63

[ Vapour Pressure ]:
0.4±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.485

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GQ3120000
CHEMICAL NAME :
Crotonic acid, 4-bromo-, methyl ester
CAS REGISTRY NUMBER :
1117-71-1
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H7-Br-O2
MOLECULAR WEIGHT :
179.03
WISWESSER LINE NOTATION :
E2U1VO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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#00811

Safety Information

[ Symbol ]:

GHS05, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H315-H318-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
C:Corrosive;

[ Risk Phrases ]:
R20/21/22;R34

[ Safety Phrases ]:
S26-S39-S45-S36/37/39

[ RIDADR ]:
3265

[ WGK Germany ]:
3

[ RTECS ]:
GQ3120000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2916190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Methyl (2E)-2-butenoate
  • Crotonic acid
  • methyl 4-phenylselanylbut-2-enoate
  • Methyl DL-2-Hydroxy-3-butenoate
  • Carbon tetrachloride
  • Methanol
  • 4-bromocrotonic acid
  • 2,6-PIPERIDINEDIONE, 1-BROMO-
  • benzene

DownStream

  • (2,3-DIHYDRO-BENZO[1,4]OXATHIIN-2-YL)-ACETIC ACID METHYL ESTER
  • Methyl (2E)-2-butenoate
  • Methyl 3-butenoate
  • methyl 2-(1-hydroxyethyl)but-2-enoate
  • methyl (E,Z)-2,4-decadienoate
  • 4-(4-Chlorophenyl)butanic acid
  • (1,3-DIOXAN-2-YLETHYL)MAGNESIUMBROMIDE
  • 4-(3-chlorophenyl)butanoicacid
  • 4-(3,4-dichlorophenyl)butanoic acid

Customs

[ HS Code ]: 2916190090

[ Summary ]:
2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

Related Compounds

  • methyl bromocrotonate
  • Methyl 2-bromobut-2-enoate
  • Methyl bromo(3-chlorophenyl)acetate
  • Methyl bromo(methoxy)acetate
  • methyl crotonate
  • γ-bromocrotonic acid methyl ester
  • methyl 4-bromocrotonate
  • 4-[[2-[4-(2,4-Dichlorophenoxy)-1-oxobutyl]hydrazinylidene]methyl]-2-methoxyphenyl 4-chlorobenzoate
  • D-Ribitol, 2,3,4-tris-O-(phenylmethyl)-5-O-2-propenyl-1-O-(2,3,5-tri-O-benzoyl-I(2)-D-ribofuranosyl)-
  • Phenylmethyl hexahydro-2-phenyl-7,8-bis(phenylmethoxy)-5H-1,3-dioxino[5,4-b]pyridine-5-carboxylate
  • 5,13a-Etheno-1H,13aH-cyclopenta[5,6]naphtho[2,1-c][1,2,4]triazolo[1,2-a][1,2]diazine-1,3(2H)-dione
  • D-Alanine, N-[N-[(phenylmethoxy)carbonyl]-L-I+/--aspartyl]-, 1-(1-methylethyl) 4-(phenylmethyl) ester
  • Cytidine 5a(2)-(trihydrogen diphosphate), 2a(2)-deoxy-, Pa(2)-[2-(trimethylammonio)ethyl] ester, inner salt
  • Nonacosane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-heptacosafluoro-15-iodo-
  • 2-Propanesulfinamide, N-[(1R)-1-[4-(5-cyano-2-methoxy-3-pyridinyl)phenyl]ethyl]-2-methyl-, [S(R)]-
  • Adenosine 5a(2)-(trihydrogen diphosphate), Pa(2)a5a(2)-ester with 1-I(2)-D-ribofuranosylpyridinium, inner salt
  • L-Proline, 1,1a(2)-[dithiobis(2-methyl-1-oxo-3,1-propanediyl)]bis-, bis[(4-nitrophenyl)methyl] ester