所有图片(2)
About This Item
线性分子式:
O2NC6H3(CH3)CN
CAS号:
分子量:
162.15
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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方案
97%
mp
102-106 °C (lit.)
SMILES字符串
Cc1ccc(cc1[N+]([O-])=O)C#N
InChI
1S/C8H6N2O2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,1H3
InChI key
KOFBNBCOGKLUOM-UHFFFAOYSA-N
应用
4-Methyl-3-nitrobenzonitrile may be used in the synthesis of (E)-1-(4-cyano-2-nitrophenyl)-2-(4-(4-cyanophenoxy)phenyl)ethene and (E)-1-(4-fluorophenyl)-2-(4-cyano-2-nitrophenyl)ethene.
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
4-Methyl-3-nitrobenzonitrile.
Cui LJ and Dai J
Acta Crystallographica Section E, Structure Reports Online, 64(10), o1898-o1898 (2008)
Comparative vibrational spectroscopic investigation of benzonitrile derivatives using density functional theory.
Misra N, et al.
Der Pharma Chemica, 1(1), 196-209 (2009)
Bing Li et al.
Journal of medicinal chemistry, 53(5), 2264-2276 (2010-02-17)
NSC 240898 was previously identified as a botulinum neurotoxin A light chain (BoNT/A LC) endopeptidase inhibitor by screening the National Cancer Institute Open Repository diversity set. Two types of analogues have been synthesized and shown to inhibit BoNT/A LC in
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