6-Methyl-1-benzothiophene-2-carboxylic acid

Basic Information

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CAS Number

1467-86-3

Molecular Formula

C10H8O2S

Molecular Weight

192.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

243-244°C

Boiling Point

386.1°C at 760 mmHg

SMILES

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CC1=CC2=C(C=C1)C=C(S2)C(=O)O

InChI

InChI=1S/C10H8O2S/c1-6-2-3-7-5-9(10(11)12)13-8(7)4-6/h2-5H,1H3,(H,11,12)

InChIKey

KQRBOHOKLNORTA-UHFFFAOYSA-N

LogP

2.9079200000000016

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

217

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

Benzo[b]thiophene-2-carboxylic acid, 6-methyl-
CS-0043148
6-methylbenzothiophene-2-carboxylic acid
6-Methylbenzo[b]thiophene-2-carboxylic acid
AKOS016014836
SCHEMBL121300
MFCD07377056
6-Methylbenzo[b]thiophene-2-carboxylicacid
SB14694
1467-86-3
PS-4830
6-Methyl-1-benzothiophene-2-carboxylic acid
BAA46786
6-methyl-2-benzo[b]thiophenecarboxylic acid
KQRBOHOKLNORTA-UHFFFAOYSA-N
DTXSID30510526
SY065467
AMY3046
A884484
C10H8O2S
6-Methylbenzothiophene-2-carboxylic acid
6-Methyl-1-benzothiophene-2-carboxylic acid, 2-Carboxy-6-methyl-1-benzothiophene
AK130986
OR3103
2-Carboxy-6-methyl-1-benzothiophene
CM13912
FCH1122855
AX8251909
ST
6-methyl-1-benzothiophene-2-carboxylic acid

MDL Number

MFCD07377056

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 6-Methyl-1-benzothiophene-2-carboxylic acid (CAS: 1467-86-3)?

6-Methyl-1-benzothiophene-2-carboxylic acid (CAS: 1467-86-3) is a solid with a crystalline form. The molecular weight is approximately 210.24 g/mol. It is slightly soluble in water but soluble in common organic solvents like methanol and ethanol. Chemically, it is reactive towards nucleophiles and can undergo esterification and condensation reactions.

How is 6-Methyl-1-benzothiophene-2-carboxylic acid (CAS: 1467-86-3) typically synthesized?

6-Methyl-1-benzothiophene-2-carboxylic acid (CAS: 1467-86-3) can be synthesized by the condensation of 6-methyl-1-benzothiophenecarbaldehyde with formic acid under the presence of a suitable catalyst such as p-toluenesulfonic acid. The reaction is typically performed in a solvent like methanol or ethanol to improve solubility and yield. The product can be purified by recrystallization or column chromatography.

What industries use 6-Methyl-1-benzothiophene-2-carboxylic acid (CAS: 1467-86-3)?

6-Methyl-1-benzothiophene-2-carboxylic acid (CAS: 1467-86-3) is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of active pharmaceutical ingredients (APIs). It is also utilized in the polymer industry for the development of functional polymers and in sensors for its unique chemical properties. Additionally, it plays a role in semiconductor applications due to its electronic properties.

What precautions should be taken when handling 6-Methyl-1-benzothiophene-2-carboxylic acid (CAS: 1467-86-3)?

When handling 6-Methyl-1-benzothiophene-2-carboxylic acid (CAS: 1467-86-3), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to avoid inhalation of fumes. In case of a spill, it should be cleaned up immediately with appropriate absorbent materials and disposed of according to local regulations. Always refer to the safety data sheet (SDS) for detailed safety information.