Methyl 4-Bromocrotonate, 85%

Basic Information

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CAS Number

1117-71-1

Molecular Formula

C5H7BrO2

Molecular Weight

179.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

75°C/2mmHg

Water Solubility

Slightly soluble in water.

Refractive Index

n20/D 1.501(lit.)

SMILES

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COC(=O)C=CCBr

InChI

InChI=1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3

InChIKey

RWIKCBHOVNDESJ-UHFFFAOYSA-N

LogP

1.1105

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

98.6

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

AMY14793
F11439
Methyl 4-bromocrotonate
methyl4-bromocrotonate
BCP09298
methyl 4-bromobut-2-enoate
Methyl 4-bromocrotonate, tech.
(E)-4-bromo-2-butenoic acid methyl ester
Methyl 4-bromocrotonate, tech grade
1117-71-1
Methyl trans-4-bromo-2-butenoate, technical, >=90% (GC)
methyl-4-bromcrotonat
4-Bromocrotonic Acid Methyl Ester
M1689
methyl 4-bromo-crotonate
AKOS005622672
O11933
A802410
EN300-658977
trans-4-Bromo-2-butenoic Acid Methyl Ester
2-Butenoic acid, 4-bromo-, methyl ester, (2E)-
CS-W008761
NSC 77073
methyl (E)-4-bromobut-2-enoate
(e)-4-bromo-but-2-enoic acid methyl ester
Methyl trans-4-bromocrotonate
Methyl 4-bromocrotonate, 85%, technical grade
methyl (2E)-4-bromobut-2-enoate
SCHEMBL25769
(E)-4-Bromo-2-butenoic acid methylester
F0001-0253

MDL Number

MFCD00000246

Customs Code

2916190090

FAQ

What are the physical and chemical properties of Methyl 4-Bromocrotonate (CAS: 1117-71-1)?

Methyl 4-Bromocrotonate is a crystalline compound with a molecular weight of approximately 211.03 g/mol. It has a solubility of about 0.5 g/L in water and is sparingly soluble in ethanol. Chemically, it is reactive towards nucleophiles and undergoes bromocrotonate ester hydrolysis. It is used in organic synthesis and as a precursor in polymer chemistry.

How is Methyl 4-Bromocrotonate (CAS: 1117-71-1) typically synthesized?

Methyl 4-Bromocrotonate is typically synthesized by the bromination of crotonic acid in the presence of an appropriate base. Commonly, this involves a nucleophilic substitution reaction where bromine reacts with crotonic acid to form the bromo derivative, followed by esterification with methanol. The yield is around 85%, and the reaction is usually performed under mild conditions.

What industries use Methyl 4-Bromocrotonate (CAS: 1117-71-1)?

Methyl 4-Bromocrotonate is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate for the synthesis of various drugs and is also used in the production of functional polymers. Additionally, it has applications in semiconductor and sensor technologies due to its reactivity and stability.

What precautions should be taken when handling Methyl 4-Bromocrotonate (CAS: 1117-71-1)?

When handling Methyl 4-Bromocrotonate, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a well-ventilated area and away from heat sources. Spills should be handled using appropriate safety protocols and clean-up materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information.