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About This Item
线性分子式:
H2NC6H3(Cl)CN
CAS号:
分子量:
152.58
Beilstein:
2936425
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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方案
99%
mp
116-118 °C (lit.)
官能团
chloro
nitrile
SMILES字符串
Nc1ccc(C#N)c(Cl)c1
InChI
1S/C7H5ClN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,10H2
InChI key
ZFBKYGFPUCUYIF-UHFFFAOYSA-N
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应用
4-Amino-2-chlorobenzonitrile has been used in the preparation of methyl (E)-2-[(3-chloro-4-cyanophenyl)imino]-4-(4-chlorophenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate.
警示用语：
Warning
危险声明
危险分类
Skin Sens. 1
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, Faceshields, Gloves
法规信息
新产品
K N Venugopala et al.
Acta crystallographica. Section E, Structure reports online, 68(Pt 10), o2977-o2978 (2012-11-06)
In the title compound, C(20)H(16)Cl(2)N(4)O(2), the dihedral angles between the planes of the chloro-phenyl, chloro-cyano-phenyl-imine and ester groups and the plane of the six-membered tetra-hydro-pyrimidine ring are 86.9 (2), 72.6 (2) and 7.9 (2)°, respectively. The Cl atom substituent on the cyano-phenyl ring
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