Methyl 4-Bromocrotonate , >80.0%(GC) , 1117-71-1

Synonym(s):
Methyl 4-bromocrotonate

CAS NO.：1117-71-1

Empirical Formula: C5H7BrO2

Molecular Weight: 179.01

MDL number: MFCD00000246

EINECS: 214-251-0

PRODUCT Properties

• Boiling point: 83-85 °C13 mm Hg(lit.)
• Density: 1.522 g/mL at 25 °C(lit.)
• refractive index: n20/D 1.501
• Flash point: 197 °F
• storage temp.: 2-8°C
• form: Liquid
• color: Clear yellow
• Specific Gravity: 1.52
• Water Solubility: Slightly soluble in water.
• BRN: 1745755
• InChI: InChI=1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+
• InChIKey: RWIKCBHOVNDESJ-NSCUHMNNSA-N
• SMILES: C(=O)(OC)/C=C/CBr
• CAS DataBase Reference: 1117-71-1(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Butenoic acid, 4-bromo-, methyl ester(1117-71-1)
• EPA Substance Registry System: 2-Butenoic acid, 4-bromo-, methyl ester (1117-71-1)

Description and Uses

It is a useful synthetic intermediate. It was used in the synthesis of irreversible inhibitors of EGFR and HER-2 tyrosine kinases with enhanced antitumor activities.

Safety

• Symbol(GHS): GHS05,GHS07
• Signal word: Danger
• Hazard statements: H315-H318-H335
• Precautionary statements: P261-P280-P305+P351+P338
• Hazard Codes: Xi,C
• Risk Statements: 37/38-41-34-20/21/22
• Safety Statements: 26-39-45-36/37/39
• RIDADR: 3265
• WGK Germany: 3
• RTECS: GQ3120000
• F: 8-9
• Hazard Note: Corrosive
• TSCA: Yes
• HazardClass: 8
• PackingGroup: III
• HS Code: 29161900