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Key Documents

Safety Information

261653

Sigma-Aldrich

Benzoyl isothiocyanate

98%

Synonym(s):

Benzoylthiocarbimide, N-Benzoyl isothiocyanate

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About This Item

Linear Formula:
C6H5CONCS
CAS Number:
Molecular Weight:
163.20
Beilstein:
606716
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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

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Application

Benzoyl isothiocyanate has been used in the preparation of:
  • 1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea, new thiourea derivative
  • guanine

Pictograms

Skull and crossbonesCorrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

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

Supplementary Hazards

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

261653-25G:
261653-BULK:
261653-5G:
261653-VAR:


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