40411-27-6

Basic information

• Product Name: 5-CHLORO-2-METHYLPHENYL ISOCYANATE
• Synonyms: 5-Chloro-2-methylphenyl isocyanate 98%;5-Chloro-2-methylphenylisocyanate98%;5-CHLORO-2-METHYLPHENYL ISOCYANATE;4-Chloro-2-isocyanatotoluene;4-chloro-2-isocyanato-1-methylbenzene;5-Chloro-2-methylphenyl isocyanate ,99%
• CAS NO: 40411-27-6
• Molecular Formula: C₈H₆ClNO
• Molecular Weight: 167.59
• EINECS: -0
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 40411-27-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 115 °C5 mm Hg(lit.)
• Flash Point: 227 °F
• Appearance: /
• Density: 1.226 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0324mmHg at 25°C
• Refractive Index: n20/D 1.556(lit.)
• Storage Temp.: Store at 2-8
• Sensitive: Moisture Sensitive
• BRN: 2691112
• CAS DataBase Reference: 5-CHLORO-2-METHYLPHENYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-CHLORO-2-METHYLPHENYL ISOCYANATE(40411-27-6)
• EPA Substance Registry System: 5-CHLORO-2-METHYLPHENYL ISOCYANATE(40411-27-6)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: UN 2206 6.1/PG 3
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 40411-27-6(Hazardous Substances Data)

Usage

Description

5-Chloro-2-methylphenyl isocyanate, also known as 4-chloro-2-isocyanato-1-methylbenzene, is an organic building block that features an isocyanate group. It is characterized by its colorless liquid appearance and has been studied through various analytical methods, including Raman and infrared spectroscopy, as well as ab initio and density functional theory (DFT) calculations.

Uses

Used in Chemical Synthesis:
5-Chloro-2-methylphenyl isocyanate is used as a synthetic building block for the creation of various organic compounds. Its isocyanate group allows for versatile reactions and the formation of different products.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 5-chloro-2-methylphenyl isocyanate is used as a key intermediate for the synthesis of pharmaceutical compounds. It is specifically utilized in the production of:
1. N-(5-chloro-2-methyphenyl)-N′-(1-methylethyl)-thiourea: 5-CHLORO-2-METHYLPHENYL ISOCYANATE is synthesized for potential applications in the development of new drugs targeting specific medical conditions.
2. N-(5-chloro-2-methyphenyl)-N′-(1-methylethyl)-urea: Another pharmaceutical compound derived from 5-chloro-2-methylphenyl isocyanate, which may have therapeutic applications.
3. 5-chloro-2-methylphenylcarbamoylated cyclodextrin (CD) chiral stationary phase (CSP): 5-CHLORO-2-METHYLPHENYL ISOCYANATE is used in the field of chromatography, particularly for the separation of enantiomers, which is crucial in the development and quality control of chiral drugs.
These applications highlight the importance of 5-chloro-2-methylphenyl isocyanate as a versatile and valuable compound in the synthesis of various products across different industries.

InChI:InChI=1/C8H6ClNO/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3

Upstream product

• 32315-10-9 bis(trichloromethyl) carbonate 
• 95-79-4 5-chloro-2-methyl-benzenamine 

Downstream Products

• 1353872-09-9 C₁₄H₁₄ClN₃O₄ 
• 1412704-48-3 5-chloromethyl-3-(5-chloro-2-methyl-phenyl)-oxazolidin-2-one 
• 1360619-88-0 N-(5-chloro-2-methylphenyl)-4-{4-[5-(2-formylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidine-1-carboxamide 
• 1345958-31-7 N-(5-chloro-2-methylphenyl)-4-[4-(cyclohexylacetyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide 
• 1337962-18-1 3-(3-(5-chloro-2-methylphenyl)ureido)-2-methylpropanoic acid 
• 1233859-05-6 C₁₁H₁₁Cl₂NO₂ 
• 1202810-85-2 C₂₆H₂₂ClN₇O 
• 52986-68-2 5,α-dichloro-2-tolyl isocyanate 
• 865885-70-7 N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-6-({[(2,5-dimethylphenyl)amino]carbonyl}amino)-1,2-benzisothiazole-3-carboxamide 
• 492450-77-8 3-[3-(5-chloro-2-methyl-phenyl)-ureido]-2,2-dimethyl-propionic acid methyl ester 
• 86781-58-0 1,1-Dibutyl-3-(5-chloro-2-methyl-phenyl)-urea 
• 64393-35-7 1-(3-Chlor-6-methyl-phenyl)-3-cyclopropyl-harnstoff 
• 22546-39-0 C₉H₁₂ClN₃O 
• 10300-62-6 (5-chloro-2-methyl-phenyl)-[3-(5-chloro-2-methyl-phenyl)-2-oxo-oxazolidin-4-ylidene]-urea 

Relevant articles and documents

HERBICIDAL COMPOUNDS

The present invention relates to compounds of Formula (I), or an agronomically acceptable salt of said compounds wherein A1, A2, A3, X1, X2, R1, R2 and R4 are as defined herein. The invention further relates to herbicidal compositions which comprise a compound of Formula (I), to their use for controlling weeds, in particular in crops of useful plants, and to intermediates used to synthesise said compounds.