Methyl 4-bromo-3-thiophenecarboxylate

Basic Information

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CAS Number

78071-37-1

Molecular Formula

C6H5BrO2S

Molecular Weight

221.08 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

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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COC(=O)C1=CSC=C1Br

InChI

InChI=1S/C6H5BrO2S/c1-9-6(8)4-2-10-3-5(4)7/h2-3H,1H3

InChIKey

MNOCCIFVTOUKEG-UHFFFAOYSA-N

LogP

2.2972

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

140

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-bromothiophene-3-carboxylic acid methyl ester
4-BROMO-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
Methyl 4-bromo-3-thiophenecarboxylate
DTXSID10542002
DS-2495
78071-37-1
AMY27053
FS-3684
SCHEMBL1527656
SB38737
SY023660
FT-0731932
AKOS016005496
Methyl 4-bromothiophene-3-carboxylate
3-Thiophenecarboxylic acid, 4-bromo-, methyl ester
MNOCCIFVTOUKEG-UHFFFAOYSA-N
MFCD12913867
Methyl4-bromothiophene-3-carboxylate
A865100
CS-0030445
EN300-213685
AI-942/25034165
4-Bromo-thiophene-3-carboxylic acid methyl ester
AK102742
AB0058750
Z5124
ST24025356
3-Thiophenecarboxylic acid, 4-bromo-, m
methyl 4-bromothiophene-3-carboxylate

MDL Number

MFCD12913867

Customs Code

2934999090

FAQ

What is Methyl 4-bromo-3-thiophenecarboxylate (CAS: 78071-37-1)?

Methyl 4-bromo-3-thiophenecarboxylate (CAS: 78071-37-1) is a organic compound with the molecular formula C9H7BrO3S. It is a yellow or amber solid with a characteristic odor. The compound has a thiophene ring, a bromine substituent, and a carboxylic acid ester group.

What are the main uses of Methyl 4-bromo-3-thiophenecarboxylate (CAS: 78071-37-1)?

Methyl 4-bromo-3-thiophenecarboxylate (CAS: 78071-37-1) is primarily used in the synthesis of various pharmaceuticals and as an intermediate in organic synthesis. It can also be used in the preparation of other chemical compounds due to its functional groups.

Is Methyl 4-bromo-3-thiophenecarboxylate (CAS: 78071-37-1) safe?

Methyl 4-bromo-3-thiophenecarboxylate (CAS: 78071-37-1) is not considered safe for human consumption. It is toxic and should be handled with care. Protective equipment such as gloves and goggles should be worn to prevent skin and eye contact. Avoid inhalation of the compound.

How should Methyl 4-bromo-3-thiophenecarboxylate (CAS: 78071-37-1) be stored?

Methyl 4-bromo-3-thiophenecarboxylate (CAS: 78071-37-1) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent contamination and evaporation. Store in a well-ventilated area and avoid contact with incompatible materials such as reducing agents.