478261
5-Chloro-2-methylphenyl isocyanate
98%
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About This Item
Linear Formula:
ClC6H3(CH3)NCO
CAS Number:
Molecular Weight:
167.59
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
assay
98%
refractive index
n20/D 1.556 (lit.)
bp
115 °C/5 mmHg (lit.)
density
1.226 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
Cc1ccc(Cl)cc1N=C=O
InChI
1S/C8H6ClNO/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3
InChI key
XEMUTFNBAICJEO-UHFFFAOYSA-N
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.
Application
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)
signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
No data available
flash_point_c
No data available
ppe
dust mask type N95 (US), Eyeshields, Gloves
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