478253
3-氯-2-甲基异氰酸苯酯
98%
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关于此项目
线性分子式:
ClC6H3(CH3)NCO
化学文摘社编号:
分子量:
167.59
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
98%
assay
98%
refractive index
n20/D 1.56 (lit.)
bp
95 °C/9 mmHg (lit.)
density
1.247 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
Cc1c(Cl)cccc1N=C=O
InChI
1S/C8H6ClNO/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3
InChI key
NGQMCUWZGVMILT-UHFFFAOYSA-N
General description
3-Chloro-2-methylphenyl isocyanate, also known as 1-chloro-3-isocyanato-2-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
3-Chloro-2-methylphenyl isocyanate may be used in the preparation of 4-(3-chloro-2-methylphenyl)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)semicarbazide.
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
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
新产品
此项目有
Microwave-assisted synthesis of novel 8-chloro-[1,2,4]triazolo[4,3-a]pyridine
derivatives.
derivatives.
Zhang LG, et al.
Turkish Journal of Chemistry, 39, 867-873 (2015)
The vibrational spectra, assignments and ab initio/DFT analysis for 3-chloro, 4-chloro and 5-chloro-2-methylphenyl isocyanates.
Doddamani SB, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 67(1), 150-159 (2007)