Benzoyl isothiocyanate,4-methyl-

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Catalog Number

ACM16794686

Product Name

Structure

CAS

16794-68-6

Category

Heterocyclic Organic Compound

Synonyms

4-Methylbenzoyl isothiocyanate, MolPort-000-157-070, ZINC02528094, CID140139, 16794-68-6

IUPAC Name

4-methylbenzoyl isothiocyanate

Molecular Weight

177.223

Molecular Formula

C9H7 N O S

Canonical SMILES

CC1=CC=C(C=C1)C(=O)N=C=S

InChI Key

RZCAJUGXEPHWJY-UHFFFAOYSA-N

Boiling Point

283.9ºC at 760 mmHg , 100ºC/1mm Hg

Melting Point

100ºC

Flash Point

125.5ºC

Density

1.11 g/cm³

Appearance

clear amber liquid

Exact Mass

177.02500

H-Bond Acceptor

H-Bond Donor

Safety Description

26-36/37/39

MSDS

COA

Spec Sheet

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