Benzoyl isothiocyanate

Benzoyl isothiocyanate Basic information
Product Name:Benzoyl isothiocyanate
Synonyms:Benzoylthiocarbimide;ISOTHIOCYANIC ACID BENZOYL ESTER;BENZOYL ISOTHIOCYANATE;N-BENZOYLISOTHIOCYANATE;Benzoylisothiocyante;Isothiocyanic acid, anhydride with benzoic acid;Benzoyl isothiocyanate,98%;Benzoyl isothiocyanate ,96%
CAS:532-55-8
MF:C8H5NOS
MW:163.2
EINECS:208-540-0
Product Categories:Aromatics;Miscellaneous Reagents;Phenyl isocyanate&Phenyl isothiocyanate;Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
Mol File:532-55-8.mol
Benzoyl isothiocyanate Structure
Benzoyl isothiocyanate Chemical Properties
Melting point 128 °C
Boiling point 128-131 °C/15 mmHg (lit.)
density 1.214 g/mL at 25 °C (lit.)
refractive index n20/D 1.6354(lit.)
Fp >230 °F
storage temp. 2-8°C
solubility Chloroform
form Liquid
color Clear yellow to orange-brown
Specific Gravity1.214
Water Solubility almost insoluble
Sensitive Moisture Sensitive/Lachrymatory
Merck 14,1114
BRN 606716
CAS DataBase Reference532-55-8(CAS DataBase Reference)
NIST Chemistry ReferenceBenzoyl isothiocyanate(532-55-8)
Safety Information
Hazard Codes T,Xi
Risk Statements 25-32-36-43-42/43-36/37/38-20/21/22
Safety Statements 26-36/37-45-36/37/39
RIDADR UN 2810 6.1/PG 3
WGK Germany 3
Hazard Note Lachrymatory/Moisture Sensitive
TSCA T
HazardClass 6.1
PackingGroup III
HS Code 29309070
MSDS Information
ProviderLanguage
Benzoyl isothiocyanate English
ACROS English
SigmaAldrich English
ALFA English
Benzoyl isothiocyanate Usage And Synthesis
Chemical PropertiesCLEAR YELLOW TO ORANGE-BROWN LIQUID
UsesBenzoyl isothiocyanate has been used in the preparation of:
  • 1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea, new thiourea derivative
  • guanine
Purification MethodsDistil the isothiocyanate over a small amount of P2O5, whereby the distillate crystallises in prisms. It is readily hydrolysed by H2O to give benzamide and benzoylurea, but with NH3 it gives benzoylurea m 210o which can be recrystallised from EtOH. [Hill & Degnan J Am Chem Soc 62 1595 1940, Terss & McEwen J Am Chem Soc 76 580 1954, Frank & Smith Org Synth Coll Vol III 735 1955, Beilstein 9 IV 777.]
Benzoyl peroxide 1,2-Benzenedicarboxylic acid di-C9-11-branched alkyl esters C10-rich ISOTHIOCYANATE, POLYMER-BOUND, 200-400 3-CHLOROBENZOYL ISOTHIOCYANATE 4-METHOXYBENZOYL ISOTHIOCYANATE 3-NITROBENZOYL ISOTHIOCYANATE 3-METHYLBENZYL ISOTHIOCYANATE Phenyl isocyanate 1,4-PHENYLENE DIISOTHIOCYANATE Phenyl isothiocyanate Diisononyl phthalate 3,4,5-trimethoxybenzoyl isothiocyanate 4-NITROBENZOYL ISOTHIOCYANATE 2-METHYLBENZOYL ISOTHIOCYANATE Benzoyl isothiocyanate NSC56449 3-fluoro-4-methylbenzoyl isothiocyanate 2,4-DICHLOROBENZENE-1-CARBONYL ISOTHIOCYANATE

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