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Product details

名称

2-溴-6-硝基甲苯

英文别名

1-Bromo-2-methyl-3-nitrobenzene # | 3-bromo-2-methylnitrobenzene | A8006 | AKOS005258793 | EN300-27151 | DTXSID00203791 | EN300-98980 | 6-Bromo-2-nitrotoluene | STR06300 | SY004067 | 2-bromo-6-nitro toluene | AC-3151 | 2-BROMO-6-NITROMETHYLBENZENE | EINEC

英文名称

2-Bromo-6-nitrotoluene

货号

B122776-100g

包装规格

100g

浓度

≥98%

运输条件

常规运输

产品介绍

2-Bromo-6-nitrotoluene has been used: · as starting reagent in total synthesis of N-acetyl methyl ester of (±)-clavicipitic acids · in synthesis of carbazomadurin A, highly oxygenated neuronal cell protecting carbazole alkaloid

应用

CAS号

55289-35-5

分子式

CH3C6H3(NO2)Br

分子量

216.03 g/mol

Beilstein号

2502581

EC号

259-566-4

MDL号

MFCD00009792

PubChem编号

123537

Isomeric SMILES

CC1=C(C=CC=C1Br)[N+](=O)[O-]

IIUPAC Name

1-bromo-2-methyl-3-nitrobenzene

INCHI

1S/C7H6BrNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3

InChi Key

LYTNSGFSAXWBCA-UHFFFAOYSA-N

Smiles

CC1=C(C=CC=C1Br)[N+](=O)[O-]

PubChem SID

488187758

熔点

37-42°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

214.958 Da

单同位素质量Monoisotopic Mass

214.958 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

157

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

3.2

闪点(℃)

>110°C(230°F)

沸点

136°C/8mmHg

Reaxy-Rn

2502581

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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