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261653

Benzoyl isothiocyanate

Name: Benzoyl isothiocyanate
Brand: ALDRICH

98%

Synonym(s):

Benzoylthiocarbimide, N-Benzoyl isothiocyanate

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About This Item

Linear Formula:

C₆H₅CONCS

CAS Number:

532-55-8

Molecular Weight:

163.20

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24855828

EC Number:

208-540-0

Beilstein/REAXYS Number:

606716

MDL number:

MFCD00004815

Assay:

98%

Form:

liquid

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Properties

Quality Segment

200

assay

98%

form

liquid

refractive index

n20/D 1.6354 (lit.)

bp

128-131 °C/15 mmHg (lit.)

density

1.214 g/mL at 25 °C (lit.)

functional group

amine, isothiocyanate, phenyl

storage temp.

2-8°C

SMILES string

O=C(N=C=S)c1ccccc1

InChI

1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H

InChI key

CPEKAXYCDKETEN-UHFFFAOYSA-N

Description

Application

Benzoyl isothiocyanate has been used in the preparation of:

1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea, new thiourea derivative
guanine

hcodes

H301,H317,H318

pictograms

GHS06,GHS05

signalword

Danger

pcodes

P280 - P301 + P310 + P330 - P302 + P352 - P305 + P351 + P338 + P310

Hazard Classifications

Acute Tox. 3 Oral - Eye Dam. 1 - Skin Sens. 1

supp_hazards

EUH032

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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