Methyl 2-bromo-1,3-thiazole-4-carboxylate

Basic Information

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CAS Number

170235-26-4

Molecular Formula

C5H4BrNO2S

Molecular Weight

222.06 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

128.0 to 132.0 deg-C

Boiling Point

263.3°C at 760 mmHg

Water Solubility

Slightly soluble in water.

Flash Point

113℃

SMILES

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COC(=O)C1=CSC(=N1)Br

InChI

InChI=1S/C5H4BrNO2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3

InChIKey

YOWKNNKTQWCYNC-UHFFFAOYSA-N

LogP

1.6922000000000001

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

144

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

methyl 2-bromo-1,3-thiazole-4-carboxylate
J-522467
Methyl2-bromothiazole-4-carboxylate
FS-1429
EN300-1666747
methyl 2-bromothiazole-4-carboxylate, AldrichCPR
Methyl 2-bromothiazole-4-carboxylate
MFCD06659908
M2615
2-bromo-thiazole-4-carboxylic acid methyl ester
2-BROMO-1,3-THIAZOLE-4-CARBOXYLIC ACID METHYL ESTER
CS-D0850
4-Thiazolecarboxylic acid, 2-bromo-, methyl ester
2-bromothiazole-4-carboxylic acid methyl ester
2-bromidethiazol -4-methyl formate
Q-102481
5-Bromo-thiazole-4-carboxylic acid methyl ester
BCP23491
AKOS015913951
AM20090022
170235-26-4
SCHEMBL595766
CHEMBL5194361
SY015458
DTXSID60376814
AB26606
PB41211
FT-0643630
YOWKNNKTQWCYNC-UHFFFAOYSA-N
A3758
2-BROMOTHIAZOLE-4-CARBOXYLIC ACID METHYL ESTER

MDL Number

MFCD06659908

Customs Code

2934100090

FAQ

What are the physical and chemical properties of Methyl 2-bromo-1,3-thiazole-4-carboxylate (CAS: 170235-26-4)?

Methyl 2-bromo-1,3-thiazole-4-carboxylate (CAS: 170235-26-4) is a crystalline solid with a molecular weight of approximately 262.04 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and dimethylformamide. This compound is moderately reactive, particularly towards nucleophilic substitution reactions, and can undergo hydrolysis under acidic conditions. It is used as a precursor in organic synthesis and pharmaceuticals.

How is Methyl 2-bromo-1,3-thiazole-4-carboxylate (CAS: 170235-26-4) typically synthesized?

Methyl 2-bromo-1,3-thiazole-4-carboxylate (CAS: 170235-26-4) is typically synthesized by reacting 1,3-thiazole-4-carboxylic acid with bromine in the presence of a suitable solvent like acetic anhydride or acetic acid. The reaction is highly selective and provides good yield, with the product being isolated via recrystallization from appropriate solvents.

What industries use Methyl 2-bromo-1,3-thiazole-4-carboxylate (CAS: 170235-26-4)?

Methyl 2-bromo-1,3-thiazole-4-carboxylate (CAS: 170235-26-4) is used in the pharmaceutical industry as a precursor for the synthesis of various bioactive molecules, including antibiotics and antiviral agents. It is also utilized in the polymer industry for the modification of polymers, and in the sensor industry for developing chemical and biological sensors.

What precautions should be taken when handling Methyl 2-bromo-1,3-thiazole-4-carboxylate (CAS: 170235-26-4)?

When handling Methyl 2-bromo-1,3-thiazole-4-carboxylate (CAS: 170235-26-4), it is essential to use appropriate personal protective equipment (PPE), including gloves and safety goggles. This compound should be stored in a cool, dry place, away from direct sunlight and heat sources. In case of a spill, it should be cleaned up immediately using appropriate spill response materials. Always refer to the Safety Data Sheet (SDS) for detailed safety guidelines.