2-Methyl-1,3-benzothiazole

Basic Information

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CAS Number

120-75-2

Molecular Formula

C8H7NS

Molecular Weight

149.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

11-14 °C

Boiling Point

238°C

Water Solubility

Not miscible or difficult to mix with water.

Refractive Index

n20/D 1.617(lit.)

SMILES

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Cc1nc2ccccc2s1

InChI

InChI=1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3

InChIKey

DXYYSGDWQCSKKO-UHFFFAOYSA-N

LogP

2.6047200000000013

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

126

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

2-Methylbenzothiazole
2-Methyl-1,3-benzothiazole
2-methyl-1,3 benzothiazole
2-Methylbenzothiazo
2-methylbenzothiazol
2-methylbenzthiazole
3-Methyl-benzothiazole
Benzothiazole,2-methyl
METHYLBENZOTHIAZOLE
usafek-1853
NSC 3825
2-methyl-benzothiazol
Benzothiazole,2-methyl-
2-methylbenzo[d]thiazole
USAF ek-1853
Benzothiazole, 2-methyl-
2-METHYBENZOTHIAZOLE
2-methyl-benzothiazole
Benzothiazole, methyl-
2-Methyl benzothiazole
7LX1XE6H8W
methylbenzthiazole
DXYYSGDWQCSKKO-UHFFFAOYSA-N
benzothiazole,methyl-
2-methylbenzothiazoline
PubChem10877
DSSTox_RID_83283
DSS
2-METHYLBENZOTHIAZOLE
2-methyl-1,3-benzothiazole

MDL Number

MFCD00005794

Customs Code

2934200090

FAQ

What are the physical and chemical properties of 2-Methyl-1,3-benzothiazole (CAS: 120-75-2)?

2-Methyl-1,3-benzothiazole (CAS: 120-75-2) is a crystalline compound with a molecular weight of approximately 143.18 g/mol. It has a low solubility in water but is soluble in common organic solvents like ethanol and acetone. Chemically, it is stable but can react with strong oxidizing agents. It has a characteristic thiourea odor.

How is 2-Methyl-1,3-benzothiazole (CAS: 120-75-2) typically synthesized?

2-Methyl-1,3-benzothiazole can be synthesized via the thioetherification of 2-methylbenzaldehyde with thiourea. This process typically involves the use of a suitable base like sodium hydroxide in a suitable solvent such as ethanol. The reaction is known for its good yield and selectivity.

What industries use 2-Methyl-1,3-benzothiazole (CAS: 120-75-2)?

2-Methyl-1,3-benzothiazole (CAS: 120-75-2) is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly in the development of antifungal and antiviral drugs. It also finds applications in the production of dyes, polymeric materials, and as a component in sensors and semiconductors.

What precautions should be taken when handling 2-Methyl-1,3-benzothiazole (CAS: 120-75-2)?

When handling 2-Methyl-1,3-benzothiazole (CAS: 120-75-2), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled carefully, and the material safety data sheet (MSDS) should be consulted for specific handling and disposal procedures.