381799
2-溴-3-硝基甲苯
99%
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关于此项目
线性分子式:
CH3C6H3(NO2)Br
化学文摘社编号:
分子量:
216.03
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
99%
Form:
solid
assay
99%
form
solid
bp
135-136 °C/8 mmHg (lit.)
mp
38-41 °C (lit.)
density
0.803 g/mL at 25 °C (lit.)
SMILES string
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
General description
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)°.
Application
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.
signalword
Warning
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves