405280
2-氨基-4-氯苄腈
99%
别名:
4-氯邻氨基苯腈, 5-氯-2-氰基苯胺
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关于此项目
线性分子式:
H2NC6H3(Cl)CN
化学文摘社编号:
分子量:
152.58
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
253-967-8
Beilstein/REAXYS Number:
2085559
MDL number:
产品名称
2-氨基-4-氯苄腈, 99%
InChI key
UZHALXIAWJOLLR-UHFFFAOYSA-N
InChI
1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
SMILES string
Nc1cc(Cl)ccc1C#N
assay
99%
form
powder
mp
157-162 °C (lit.)
functional group
chloro
nitrile
Quality Level
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Application
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
General description
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
此项目有
A novel hybrid of 6-chlorotacrine and metal-amyloid-β modulator for inhibition of acetylcholinesterase and metal-induced amyloid-β aggregation.
Kochi A, et al.
Chemical Science, 4(11), 4137-4145 (2013)
FT-IR and FT-Raman spectra, vibrational assignments, NBO analysis and DFT calculations of 2-amino-4-chlorobenzonitrile.
Sudha S, et al.
Journal of Molecular Structure, 958(2), 148-156 (2011)
6-(and 7-)-Chloro-4-(1-diethylamino-4-pentylamino)-2-(p-methoxyphenyl)-quinazoline Dihydrochlorides.
McKee RL, et al.
Journal of the American Chemical Society, 69(4), 940-942 (1947)
Regioselective Suzuki-Miyaura reaction: application to the microwave-promoted synthesis of 4,7-diarylquinazolines
Kabri, Y.; et al.
Molecules (Basel), 15(5), 2949-2961 (2010)
Youssef Kabri et al.
Molecules (Basel, Switzerland), 15(5), 2949-2961 (2010-07-27)
New diarylquinazolines displaying pharmaceutical potential were synthesized in high yields from 4,7-dichloro-2-(2-methylprop-1-enyl)-6-nitroquinazoline by using microwave-promoted regioselective Suzuki-Miyaura cross-coupling reactions.
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