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261653

Sigma-Aldrich

Benzoyl isothiocyanate

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
Beilstein:
606716
EC Number:
208-540-0
MDL number:
MFCD00004815
UNSPSC Code:
12352100
PubChem Substance ID:
24855828
NACRES:
NA.22

Quality Level

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.)

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
GHS06,GHS05

Signal Word

Danger

Hazard Statements

H301,H317,H318

Hazard Classifications

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

Supplementary Hazards

EUH032

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Synthesis of guanosine and its derivatives from 5-amino-1-beta-d-ribofuranoxyl-4-imidazolecarboxamide. I. Ring closure with benzoyl isothiocyanate.
A Yamazaki et al.
The Journal of organic chemistry, 32(6), 1825-1828 (1967-06-01)
P Madhusudhana Reddy et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 186, 8-16 (2017-06-11)
Sensing of F
Murat Atiş et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 98, 290-301 (2012-09-25)
A new thiourea derivative, 1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea (bcht) has been synthesized from the reaction of 2-amino-4-chlorophenol with benzoyl isothiocyanate. The title compound has been characterized by elemental analyses, FT-IR, (13)C, (1)H NMR spectroscopy and the single crystal X-ray diffraction analysis. The structure

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