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Product details

名称

3-溴硝基苯

别名

1-溴-3-硝基苯

英文别名

英文名称

3-Bromonitrobenzene

货号

B118546-100g

包装规格

100g

浓度

≥98%

运输条件

常规运输

CAS号

585-79-5

分子式

C6H4BrNO2

分子量

202.01 g/mol

Beilstein号

5248

MDL号

MFCD00024298

PubChem编号

11457

Isomeric SMILES

C1=CC(=CC(=C1)Br)[N+](=O)[O-]

IIUPAC Name

1-bromo-3-nitrobenzene

INCHI

1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H

InChi Key

FWIROFMBWVMWLB-UHFFFAOYSA-N

Smiles

C1=CC(=CC(=C1)Br)[N+](=O)[O-]

PubChem SID

488181346

溶解性

微溶于水，溶于乙醇、乙醚、苯等多数有机溶剂。

熔点

55°C

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

200.943 Da

单同位素质量Monoisotopic Mass

200.943 Da

拓扑极表面积Topological Polar Surface Area

45.800 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

134.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.600

密度

1.7

闪点(℃)

110°C

沸点

257 °C

Class

6.1

Reaxy-Rn

2043212

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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