ChemicalBook Product Catalog Chemical Reagents Organic reagents Thiocyanate / isothiocyanate 4-CHLOROPHENYL ISOTHIOCYANATE

4-CHLOROPHENYL ISOTHIOCYANATE

4-CHLOROPHENYL ISOTHIOCYANATE Basic information
Product Name:4-CHLOROPHENYL ISOTHIOCYANATE
Synonyms:4-Chlorophenyl isothiocyanate 99%;P-CHLOROPHENYL ISOTHIOCYANATE;4-CHLOROPHENYL ISOTHIOCYANATE;AKOS BBS-00004437;ISOTHIOCYANIC ACID 4-CHLOROPHENYL ESTER;4-Chlorophenyl #niso-thiocyanate;ISOTHIOCYANIC ACID 4-CHLOROPHENYL ESTER 95+%;4-Chloroisothiocyanatobenzene
CAS:2131-55-7
MF:C7H4ClNS
MW:169.63
EINECS:218-358-3
Product Categories:Proteomics;Organic Building Blocks;Protein Sequencing;Protein Structural Analysis;Reagents for Protein SequencingOrganic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates;Building Blocks;Chemical Synthesis;Organic Building Blocks;Sulfur Compounds;Protein Sequencing;Reagents for Protein Sequencing;Protein Structural Analysis
Mol File:2131-55-7.mol
4-CHLOROPHENYL ISOTHIOCYANATE Structure
4-CHLOROPHENYL ISOTHIOCYANATE Chemical Properties
Melting point 42-44 °C(lit.)
Boiling point 135-136 °C24 mm Hg(lit.)
density 1.3181 (rough estimate)
refractive index 1.6100 (estimate)
Fp 110 °C
storage temp. Refrigerator (+4°C)
form powder to crystal
color White to Light yellow
Sensitive Moisture Sensitive
BRN 471610
InChIKeyMZZVFXMTZTVUFO-UHFFFAOYSA-N
CAS DataBase Reference2131-55-7(CAS DataBase Reference)
Safety Information
Hazard Codes T
Risk Statements 23/24-36/37/38-42-42/43-23/24/25
Safety Statements 22-26-36/37/39-45-36/37
RIDADR UN 2206 6.1/PG 2
WGK Germany 3
RTECS NX8473000
F 10-21-19
HazardClass 8
PackingGroup III
HS Code 29309090
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
4-CHLOROPHENYL ISOTHIOCYANATE Usage And Synthesis
Chemical Propertieslight yellow crystalline mass
Uses4-Chlorophenyl isothiocyanate has been used in the synthesis of thiosemicarbazides. It was also used as building block for the synthesis of N-alkylated 2-arylaminobenzimidazoles.
Synthesis Reference(s)Chemistry Letters, 6, p. 573, 1977
Organic Syntheses, Coll. Vol. 1, p. 165, 1941
Tetrahedron Letters, 38, p. 1597, 1997 DOI: 10.1016/S0040-4039(97)00121-4
Purification MethodsCheck the IR first to see if free from OH frequencies. Triturate it with pet ether (b 30-60o) and decant the solvent. Repeat this 5times. The combined extracts are evaporated under reduced pressure to give almost pure compound as a readily crystallisable oil with a pleasant anise odour. It can be recrystallised from the minimum volume of EtOH at 50o (do not boil too long as it could react). It can be purified by vacuum distillation. [van der Kerk et al. Org Synth Coll Vol V 223 1973, Beilstein 12 IV 1214.] It is an IRRITANT and causes dermatitis; use gloves.
4-CHLOROPHENYL ISOTHIOCYANATE Preparation Products And Raw materials
Preparation ProductsNaphthol AS-E-->N-(4-CHLOROPHENYL)-N'-(4H-1,2,4-TRIAZOL-4-YL)THIOUREA-->3-(4-chlorophenyl)-5,6-dimethyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one-->1-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)thiourea-->3-(4-chlorophenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
4-CHLORO-2-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE 2,4,5-TRICHLOROPHENYL ISOTHIOCYANATE 2-Bromo-4-chloro-6-(trifluoromethyl)phenylisothiocyanate 2,4-DICHLORO-6-METHYLPHENYL ISOTHIOCYANATE 1-CHLORO-2-FLUORO-4-ISOTHIOCYANATO-BENZENE 4-CHLOROPHENYL ISOTHIOCYANATE 4-Chlorobenzenesulfonyl isocyanate 3-Carboxy-4-chlorophenylisothiocyanate 2,3,4,5-TETRACHLOROPHENYL ISOTHIOCYANATE 4-CHLORO-2,5-DIMETHOXYPHENYL ISOTHIOCYANATE 2,4-DICHLORO-6-CYANOPHENYLISOTHIOCYANATE 4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE 4-CHLORO-3-NITROPHENYL ISOTHIOCYANATE 2-Acetyl-4-chlorophenyl isothiocyanate 4-BROMO-3-CHLOROPHENYL ISOTHIOCYANATE (5-CHLORO-2-ISOTHIOCYANATOPHENYL)(PHENYL)METHANONE 4-CHLORO-3-METHYLPHENYL ISOTHIOCYANATE 4-CHLORO-2-FLUOROPHENYL ISOTHIOCYANATE
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