Phenylethyl isothiocyanate

CAS

2257-09-2

Catalog Number

ACM2257092

Category

Other Products

Molecular Weight

163.24

Molecular Formula

C₉H₉NS

MSDS COA Spec Sheet

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Specification

Synonyms

ISOTHIOCYANIC ACID BETA-PHENYLETHYL ESTER;BETA-PHENETHYL ISOTHIOCYANATE;B-PHENYLETHYL ISOTHIOCYANATE;2-PHENYLETHYL ISOTHIOCYANATE;2-ISOTHIOCYANATOETHYLBENZENE;2-PHENETHYL ISOTHIOCYANATE;1-(2-ISOTHIOCYANATOETHYL)BENZENE;AKOS B016323

Boiling Point

75°C0.25mm Hg

Flash Point

>230°F

Density

1.094g/mL at 25°C(lit.)

Hazard Statements

Safety Description

23-26-36-36/37

Supplemental Hazard Statements

H302+H312+H332-H315-H317-H319-H334-H335-H302-H312-H332-H314-H318-H331

Symbol

GHS07,GHS08,GHS05,GHS06

What is the molecular formula of Phenethyl isothiocyanate?

The molecular formula of Phenethyl isothiocyanate is C9H9NS.

What are some synonyms for Phenethyl isothiocyanate?

Some synonyms for Phenethyl isothiocyanate are 2-Phenylethyl isothiocyanate, Phenethyl isothiocyanate, and (2-Isothiocyanatoethyl)benzene.

When was Phenethyl isothiocyanate created?

Phenethyl isothiocyanate was created on March 26, 2005.

What is the molecular weight of Phenethyl isothiocyanate?

The molecular weight of Phenethyl isothiocyanate is 163.24 g/mol.

What are some other identifiers for Phenethyl isothiocyanate?

Some other identifiers for Phenethyl isothiocyanate include CAS number 2257-09-2, UNII 6U7TFK75KV, and ChEMBL ID CHEMBL151649.

What is the Canonical SMILES of Phenethyl isothiocyanate?

The Canonical SMILES of Phenethyl isothiocyanate is C1=CC=C(C=C1)CCN=C=S.

How many hydrogen bond acceptor counts are there in Phenethyl isothiocyanate?

There are two hydrogen bond acceptor counts in Phenethyl isothiocyanate.

What is the XLogP3 value of Phenethyl isothiocyanate?

The XLogP3 value of Phenethyl isothiocyanate is 3.5.

What is the InChIKey of Phenethyl isothiocyanate?

The InChIKey of Phenethyl isothiocyanate is IZJDOKYDEWTZSO-UHFFFAOYSA-N.

What are some of the trials that have used Phenethyl isothiocyanate?

Phenethyl isothiocyanate has been used in trials studying the prevention and treatment of Leukemia, Lung Cancer, Tobacco Use Disorder, and Lymphoproliferative Disorders.