Benzene,(1-isothiocyanatoethyl)-

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Catalog Number

ACM4478926

Product Name

Structure

CAS

4478-92-6

Category

Heterocyclic Organic Compound

Synonyms

(+/-)-1-phenylethylisothiocyanate; (n)-1-phenylethyl isothiocyanate; 1-Phenethylisothiocyanate; (1-isothiocyanato-ethyl)-benzene;

IUPAC Name

1-isothiocyanatoethylbenzene

Molecular Weight

163.2431

Molecular Formula

C9H9NS

Canonical SMILES

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

InChI Key

QQCJPTVZIZVKEZ-UHFFFAOYSA-N

Boiling Point

246.4ºC at 760mmHg

Flash Point

102.3ºC

Density

1.06

Exact Mass

163.04600

H-Bond Acceptor

H-Bond Donor

Packing Group

III

Safety Description

S26-S36/37/39

MSDS

COA

Spec Sheet

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