279013
4-Amino-2-chlorobenzonitrile
99%
Synonym(s):
3-Chloro-4-cyanoaniline
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About This Item
Linear Formula:
H2NC6H3(Cl)CN
CAS Number:
Molecular Weight:
152.58
Beilstein/REAXYS Number:
2936425
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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assay
99%
mp
116-118 °C (lit.)
functional group
chloro
nitrile
SMILES string
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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Application
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.
signalword
Warning
hcodes
Hazard Classifications
Skin Sens. 1
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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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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