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About This Item
线性分子式:
H2NC6H3(Cl)CN
CAS Number:
分子量:
152.58
Beilstein:
2085559
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
方案
99%
表单
powder
mp
157-162 °C (lit.)
官能团
chloro
nitrile
SMILES字符串
Nc1cc(Cl)ccc1C#N
InChI
1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
InChI key
UZHALXIAWJOLLR-UHFFFAOYSA-N
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一般描述
2-Amino-4-chlorobenzonitrile (2A4CBN) is a benzonitrile derivative. A study of the molecular structure, vibrational spectra and NBO analysis of 2A4CBN has been undertaken. Transformation of 2A4CBN into quinazoline-2,4(1H,3H)-diones at atmospheric pressure of CO2 in the presence of monomeric tungstate, TBA2[WO4] (TBA = tetra-n-butylammonium) has been reported.
应用
2-Amino-4-chlorobenzonitrile may be used in the preparation of the following:
- 6-chloro-4-(1-diethylamino-4-pentylamino)-2-(p-methoxyphenyl)-quinazoline dihydrochloride
- 7-chloro-4-(1-diethylamino-4-pentylamino)-2-(p-methoxyphenyl)-quinazoline dihydrochloride
- 4,7-dichloro-2-(2-methylprop-1-enyl)-6-nitroquinazoline
- 6-chlorotacrine
- N-(2-chloro-5-cyanophenyl)-4,4,4-trifluorobutanamide
警示用语：
Warning
危险声明
危险分类
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
靶器官
Respiratory system
储存分类代码
11 - Combustible Solids
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
dust mask type N95 (US), Eyeshields, Gloves
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