Benzoic acid,3-isothiocyanato-

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Catalog Number

ACM2131637

Product Name

Structure

CAS

2131-63-7

Category

Heterocyclic Organic Compound

Synonyms

3-Isothiocyanatobenzoic acid, Benzoic acid, 3-isothiocyanato-, NSC53162, ALBB-000195, CID75046, 2131-63-7

IUPAC Name

3-isothiocyanatobenzoic acid

Molecular Weight

179.2

Molecular Formula

C₈H₅NO₂S

Canonical SMILES

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

InChI Key

PJRBPKOOGLKPFB-UHFFFAOYSA-N

Boiling Point

381.2ºC at 760mmHg

Melting Point

165ºC

Flash Point

184.4ºC

Density

1.27g/cm³

Exact Mass

179.00400

H-Bond Acceptor

H-Bond Donor

Packing Group

III

Safety Description

S26-S36/37/39

MSDS

COA

Spec Sheet

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