57878-93-0

Basic information

• Product Name: 2-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE
• Synonyms: 2-Chloro-1-isothiocyanato-4-methylbenzene;2-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE;2-Chloro-4-methylphenyl isothiocyanate, 95+%;2-Chloro-4-methylphenyl isothiocyanate ,97%;3-Chloro-4-(isothiocyanato)toluene;2-Chloro-4-methylphenyl isothiocyate, 98%
• CAS NO: 57878-93-0
• Molecular Formula: C₈H₆ClNS
• Molecular Weight: 183.66
• Mol File: 57878-93-0.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 138°C/20mm
• Flash Point: 127.3 °C
• Appearance: /
• Density: 1.22
• Vapor Pressure: 0.00444mmHg at 25°C
• Refractive Index: 1.583
• CAS DataBase Reference: 2-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE(57878-93-0)
• EPA Substance Registry System: 2-CHLORO-4-METHYLPHENYL ISOTHIOCYANATE(57878-93-0)

Safety Data

• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl
• HazardClass: IRRITANT-HARMFUL
• Hazardous Substances Data: 57878-93-0(Hazardous Substances Data)

Usage

Chemical Properties

Dark yellow solid

InChI:InChI=1/C8H6ClNS/c1-6-2-3-8(10-5-11)7(9)4-6/h2-4H,1H3

Upstream product

• 463-71-8 thiophosgene 
• 615-65-6 2-chloro-4-methyl-benzenamine 
• 103-89-9 4-Methylacetanilide 
• 622-59-3 1-isothiocyanato-4-methylbenzene 

Downstream Products

• 4205-89-4 1-(2-Amino-ethyl)-3-(2-chloro-4-methyl-phenyl)-thiourea 
• 1022562-03-3 C₁₂H₁₅ClN₂OS 
• 871476-89-0 tert-butyl 2-(1-(2-chloro-4-methylphenyl)-4-(trimethylsilyl)-1H-1,2,3-triazol-5-ylthio)acetate 
• 871477-03-1 C₁₁H₁₁ClN₂S 

Relevant articles and documents

Isothiocyanate-Directed Ortho-Selective Halogenation of Arenes via C–H Functionalization

Abstract: Ortho-selective halogenation of arenes via C–H functionalization has been described under mild reaction conditions. In this reaction Cu(II)X2 was used as a halide source. It is a simple, general and efficient method for the synthesis of 2-halo aromatic isothiocyanates. All the reactions are carried out under optimized reaction conditions to provide their respective desired products in good to high yield. Graphical Abstract: We have developed a general, simple and efficient method for the synthesis of 2-halo arylisothiocyanates from isothiocyanates through ortho-selective halogenation under mild reaction conditions. Cu(II)X2 was used as a halide source for this methodology. All the reactions are carried out under optimized reaction conditions to provide their respective desired products in good to high yield. [Figure not available: see fulltext.].

Alkanimidoylthioureas

The compounds of this invention are novel alkanimidoylthioureas having antifertility activity. They are prepared by the reaction of appropriate alkanamidines with appropriate isothiocyanates.