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About This Item
线性分子式:
CH3C6H3(NO2)Br
CAS号:
分子量:
216.03
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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方案
99%
表单
solid
沸点
135-136 °C/8 mmHg (lit.)
mp
38-41 °C (lit.)
密度
0.803 g/mL at 25 °C (lit.)
SMILES字符串
Cc1cccc(c1Br)[N+]([O-])=O
InChI
1S/C7H6BrNO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3
InChI key
GCAAVRIWNMTOKB-UHFFFAOYSA-N
一般描述
Crystal structure of 2-bromo-3-nitrotoluene has been studied and the dihedral angle between the nitro group and the phenyl ring is reported to be 54.1(4)°.
应用
2-Bromo-3-nitrotoluene may be used in the preparation of unsymmetrical dimethyl dinitro biphenyl, via Ullmann reaction. It may be used as starting material in the synthesis of 10-methylfluoranthene.
警示用语：
Warning
危险分类
Acute Tox. 4 Oral - 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)
235.4 °F - closed cup
闪点(°C)
113 °C - closed cup
个人防护装备
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
675. Synthesis of fluoranthenes. Part IV. 10-and 11-Substituted fluoranthenes.
HorwoodaTucker S.
Journal of the Chemical Society, 3213-3216 (1949)
Ping Li et al.
Acta crystallographica. Section E, Structure reports online, 67(Pt 10), o2641-o2641 (2011-11-08)
In the title compound, C(7)H(6)BrNO(2), the dihedral angle between the nitro group and the phenyl ring is 14.9 (11)°.
Ullmann Synthesis of Six Dimethyldinitrobiphenyls and their Reduction to the Corresponding Diaminodimethylbiphenyls1.
Carlin RB and Foltz GE.
Journal of the American Chemical Society, 78(9), 1997-2000 (1956)
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