CAS 28115-85-7

2-Methylbenzoyl isothiocyanate

Description:

2-Methylbenzoyl isothiocyanate is an organic compound characterized by its isothiocyanate functional group attached to a 2-methylbenzoyl moiety. It typically appears as a yellow to brown liquid with a pungent odor, which is common for isothiocyanates due to the presence of the reactive thiocyanate group. This compound is known for its reactivity, particularly in nucleophilic substitution reactions, making it useful in various synthetic applications, including the preparation of other organic compounds. It is soluble in organic solvents but has limited solubility in water. 2-Methylbenzoyl isothiocyanate is often utilized in the field of medicinal chemistry and agrochemicals, where it may exhibit biological activity, including potential antimicrobial properties. Safety precautions are necessary when handling this compound, as it can be irritating to the skin, eyes, and respiratory system. Proper storage in a cool, dry place away from incompatible substances is recommended to maintain its stability and efficacy.

Formula: C₉H₇NOS

InChI: InChI=1/C9H7NOS/c1-7-4-2-3-5-8(7)9(11)10-6-12/h2-5H,1H3

SMILES: Cc1ccccc1C(=O)N=C=S

2-Methylbenzoyl isothiocyanate

CAS: 28115-85-7

2-Methylbenzoyl isothiocyanate

Purity: ≥95%

Molecular weight: 177.22g/mol

Ref: 54-OR322246

2-Methylbenzoyl isothiocyanate

CAS: 28115-85-7

Formula: C₉H₇NOS

Purity: 98.0%

Color and Shape: Liquid

Molecular weight: 177.22

Ref: 10-F009516