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 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 Gravity	1.214
Water Solubility	almost insoluble
Sensitive	Moisture Sensitive/Lachrymatory
Merck	14,1114
BRN	606716
CAS DataBase Reference	532-55-8(CAS DataBase Reference)
NIST Chemistry Reference	Benzoyl 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

Provider	Language
Benzoyl isothiocyanate	English
ACROS	English
SigmaAldrich	English
ALFA	English

Benzoyl isothiocyanate Usage And Synthesis

Chemical Properties	CLEAR YELLOW TO ORANGE-BROWN LIQUID
Uses	Benzoyl isothiocyanate has been used in the preparation of: 1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea, new thiourea derivative guanine
Purification Methods	Distil 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 isothiocyanate Preparation Products And Raw materials

Raw materials

Silanol, 1-(1,1-dimethylethyl)-1,1-dimethyl-, 1-benzoate-->4-Biphenylcarbonyl chloride

Preparation Products

1-(4-HYDROXYPHENYL)-2-THIOUREA-->1-(4-ACETYLPHENYL)-2-THIOUREA-->(4-CARBOXYPHENYL)THIOUREA-->N-cyanobenzamide-->2-HYDROXY-5-THIOUREIDO-BENZOIC ACID-->N-BENZOYL-N'-(5-QUINOLINYL)THIOUREA-->N-[3,4-DIHYDRO-1(2H)-QUINOLINYLCARBOTHIOYL]BENZENECARBOXAMIDE-->N-(cyclohexylcarbamothioyl)benzamide-->1-(4-(TRIFLUOROMETHOXY)PHENYL)-3-BENZOYLTHIOUREA-->N-Benzoyl-N'-[3-(trifluoromethyl)phenyl]thiourea-->N-[[[1-Methyl-1-(hydroxymethyl)ethyl]amino]thiocarbonyl]benzamide-->N-benzoyl-N'-(4-fluorophenyl)thiourea-->N-BENZOYL-N'-(6-QUINOLINYL)THIOUREA-->N,N-DIETHYLTHIOUREA-->N-(2-Methoxy-5-MorpholinophenylcarbaMothioyl)benzaMide

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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