Methyl 1,3-benzothiazole-6-carboxylate

Basic Information

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CAS Number

73931-63-2

Molecular Formula

C9H7NO2S

Molecular Weight

193.23 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

Basic Physical Properties

SMILES

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COC(=O)C1=CC2=C(C=C1)N=CS2

InChI

InChI=1S/C9H7NO2S/c1-12-9(11)6-2-3-7-8(4-6)13-5-10-7/h2-5H,1H3

InChIKey

ISXQEAJOCDXKAU-UHFFFAOYSA-N

LogP

2.0828999999999995

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

210

Safety Information

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Hazard Statement

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

SCHEMBL507242
CS-0187525
benzothiazole-6-carboxylic acid methyl ester
Methyl benzo[d]thiazole-6-carboxylate
C76362
MFCD17018863
DTXSID40344293
6-Benzothiazolecarboxylic acid methyl ester
6-Benzothiazolecarboxylicacid,methylester(9CI)
Methylbenzo[d]thiazole-6-carboxylate
AKOS016006876
AC-27171
Methyl 1,3-benzothiazole-6-carboxylate #
FT-0711389
Methyl benzothiazole-6-carboxylate
AS-63102
EN300-843051
SY069140
73931-63-2
Methyl 1,3-benzothiazole-6-carboxylate
Benzothiazol-6-carbonsaeure-methylester
ISXQEAJOCDXKAU-UHFFFAOYSA-N
1479AC
6-Benzothiazolecarboxylicacid, methyl ester
6-Benzothiazo

MDL Number

MFCD17018863

Customs Code

2934200090

FAQ

What is Methyl 1,3-benzothiazole-6-carboxylate (CAS: 73931-63-2)?

Methyl 1,3-benzothiazole-6-carboxylate (CAS: 73931-63-2) is an organic compound with a molecular formula of C9H7NO2S. It is a white crystalline solid with a characteristic odor and is used in various applications such as pharmaceuticals, dyes, and as a precursor in chemical synthesis.

What are the main uses of Methyl 1,3-benzothiazole-6-carboxylate (CAS: 73931-63-2)?

Methyl 1,3-benzothiazole-6-carboxylate (CAS: 73931-63-2) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of drugs. It is also used as a precursor in the production of dyes and other organic compounds. Additionally, it finds application in research and development for its unique chemical properties.

Is Methyl 1,3-benzothiazole-6-carboxylate (CAS: 73931-63-2) safe?

Methyl 1,3-benzothiazole-6-carboxylate (CAS: 73931-63-2) is generally considered safe when used under proper handling conditions. However, it should be handled with care due to its potential for skin and eye irritation. Protective measures such as gloves and goggles should be worn during manipulation. Always follow the Material Safety Data Sheet (MSDS) for detailed safety information.

How should Methyl 1,3-benzothiazole-6-carboxylate (CAS: 73931-63-2) be stored?

Methyl 1,3-benzothiazole-6-carboxylate (CAS: 73931-63-2) should be stored in a cool, dry place away from direct sunlight and moisture. It should be kept in a tightly sealed container to prevent contamination and degradation. Avoid storing it near oxidizing agents or flammable materials to ensure safety and stability.