4-Methylphenyl isothiocyanate

4-Methylphenyl isothiocyanate Basic information
Product Name:4-Methylphenyl isothiocyanate
Synonyms:Isothiocyanic Acid p-Tolyl Ester 4-Methylphenyl Isothiocyanate;p-Tolyl isothiocyanate 97%;p-Tolyl Isothiocyanate;4-Methylphenyl isothiocyanate for synthesis;ISOTHIOCYANIC ACID P-TOLYL ESTER;ISOTHIOCYANIC ACID 4-METHYLPHENYL ESTER;4-TOLYL ISOTHIOCYANATE;4-METHYLPHENYL ISOTHIOCYANATE
CAS:622-59-3
MF:C8H7NS
MW:149.21
EINECS:210-745-5
Product Categories:Thiocyanates/Isothiocyanates;Building Blocks;Chemical Synthesis;Organic Building Blocks;Sulfur Compounds
Mol File:622-59-3.mol
4-Methylphenyl isothiocyanate Structure
4-Methylphenyl isothiocyanate Chemical Properties
Melting point 25-26 °C (lit.)
Boiling point 237 °C (lit.) 62 °C/0.3 mmHg (lit.)
density 1.1442 (rough estimate)
refractive index n20/D 1.6345(lit.)
Fp 107 °C
storage temp. Store below +30°C.
form powder to lump
color White to Light yellow
Water Solubility MAY DECOMPOSE
Sensitive Moisture Sensitive
BRN 386032
InChIKeyABQKHKWXTUVKGF-UHFFFAOYSA-N
CAS DataBase Reference622-59-3(CAS DataBase Reference)
NIST Chemistry ReferenceBenzene, 1-isothiocyanato-4-methyl-(622-59-3)
Safety Information
Hazard Codes Xn,T
Risk Statements 36/37/38-42-42/43-23/24/25
Safety Statements 22-26-36-45-36/37/39
RIDADR UN 2811 6.1/PG 2
WGK Germany 3
RTECS NX9500000
10-21
HazardClass 6.1
PackingGroup III
HS Code 29309090
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
4-Methylphenyl isothiocyanate Usage And Synthesis
Chemical Propertiesclear light yellow liquid after melting
Usesp-Tolyl isothiocyanate has been used in the preparation of 6-[1-amino-3-(p-tolyl)-thiourea]-2-ethylbenzo[de]isoquinoline-1,3-dione. It is used as capping agent to cap the N-terminal ends of polypeptide. It is also used as pharmaceutical intermediate.
Usesp-Tolyl isothiocyanate has been used:
  • in the preparation of 6-[1-amino-3-(p-tolyl)-thiourea]-2-ethylbenzo[de]isoquinoline-1,3-dione
  • as capping agent to cap the N-terminal ends of polypeptides
General Descriptionp-Tolyl isothiocyanate reacts with 6-hydroxy-2,4,5-triaminopyrimidine or with 4,5,6-triaminopyrimidine in DMF and triethylamine to yield 2,4-diamino-5-(p-tolylthioureido)aminopyrimidin-6-one and 4,6-diamino-5-(tolylthioureido)aminopyrimidine, respectively.
4-Methylphenyl isothiocyanate Preparation Products And Raw materials
Preparation Products2-Chloro-6-methylbenzothiazole-->3-(p-tolyl)-rhodanin
2,4,5-TRIMETHYLPHENYL ISOTHIOCYANATE 2-BROMO-4-METHYLPHENYL ISOTHIOCYANATE 4-TERT-BUTYLPHENYL ISOTHIOCYANATE TOLUALDEHYDES ERYTHROSIN B ISOTHIOCYANATE, ISOMER II Fluorescein isothiocyanate 4-Methylphenyl isothiocyanate 4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE 4-ETHYLPHENYL ISOTHIOCYANATE 3,4-DIMETHYLPHENYL ISOTHIOCYANATE 4-ETHOXYCARBONYLPHENYL ISOTHIOCYANATE Phenyl isothiocyanate 4-ACETYLPHENYL ISOTHIOCYANATE SITS 4 4'-DIISOTHIOCYANATO-2 2'-STILBENEDISU& 4-CYANOPHENYL ISOTHIOCYANATE Allyl isothiocyanate 3-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE

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