ChemicalBook--->CAS DataBase List--->40411-27-6

40411-27-6

40411-27-6 Structure

40411-27-6 Structure
IdentificationMore
[Name]

5-CHLORO-2-METHYLPHENYL ISOCYANATE
[CAS]

40411-27-6
[Synonyms]

5-CHLORO-2-METHYLPHENYL ISOCYANATE
4-Chloro-2-isocyanatotoluene
4-chloro-2-isocyanato-1-methylbenzene
[EINECS(EC#)]

626-018-4
[Molecular Formula]

C8H6ClNO
[MDL Number]

MFCD00019913
[Molecular Weight]

167.59
[MOL File]

40411-27-6.mol
Chemical PropertiesBack Directory
[Boiling point ]

115 °C/5 mmHg (lit.)
[density ]

1.226 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.556(lit.)
[Fp ]

227 °F
[storage temp. ]

Store at 2-8
[Sensitive ]

Moisture Sensitive
[BRN ]

2691112
[CAS DataBase Reference]

40411-27-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 2206 6.1/PG 3
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29291090
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

5-Chloro-2-methylphenyl isocyanate may be used in the synthesis of:
  • N-(5-chloro-2-methyphenyl)-N′-(1-methylethyl)-thiourea
  • N-(5-chloro-2-methyphenyl)-N′-(1-methylethyl)-urea
  • 5-chloro-2-methylphenylcarbamoylated cyclodextrin (CD) chiral stationary phase (CSP)
[General Description]

5-Chloro-2-methylphenyl isocyanate, also known as 4-chloro-2-isocyanato-1-methylbenzene, is an organic building block containing an isocyanate group. Its Raman spectra, infrared spectra, ab initio and density functional theory (DFT) calculations have been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

5-CHLORO-2-METHYLPHENYL ISOCYANATE(40411-27-6)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

5-Chloro-2-methylphenyl isocyanate, 98%(40411-27-6)
[Sigma Aldrich]

40411-27-6(sigmaaldrich)
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