CAS 100-11-8|4-Nitrobenzyl bromide 98%|alpha-Bromo-4-nitrotoluene|1-(bromomethyl)-4-nitrobenzene|4-nitrobenzyl bromide|1-(Bromomethyl)-4-nitrobenzene|4-(Bromomethyl)nitrobenzene|4-Nitrobenzyl bromid...

基本信息

化学结构

分子式

C₇H₆BrNO₂

分子量

216.03204

精确质量

214.95819044

电荷

InChI

InChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2

InChIKey

VOLRSQPSJGXRNJ-UHFFFAOYSA-N

Canonic Smiles

BrCc1ccc(cc1)[N+](=O)[O-]

Isomeric Smiles

BrCc1ccc(cc1)[N+](=O)[O-]

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.6859674

LogD (pH = 7.4)

2.6859674

Log P

2.6859674

摩尔折射率

45.2289

极化性

16.891603

极化表面积

43.14

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

4-Nitrobenzyl bromide 98%alpha-Bromo-4-nitrotoluene1-(Bromomethyl)-4-nitrobenzene4-(Bromomethyl)nitrobenzene4-Nitrobenzyl bromide4-硝基苄溴p-NITROBENZYL BROMIDEα-溴-4-硝基甲苯α-Bromo-4-nitrotoluene4-硝基溴苄4-Nitrobenzyl bromide1-(Bromomethyl)-4-nitrobenzene

IUPAC标准名

1-(bromomethyl)-4-nitrobenzene

IUPAC传统名

4-nitrobenzyl bromide nitrobenzyl bromide

名称和标识

数据登录号

PubChem SID

PubChem CID

CAS号

MDL号

EC号

Beilstein号

数据登录号

化合物性质

理化性质

熔点

97-101°C

96-99 °C(lit.)

97-101°C

化合物性质

分子相关蛋白质

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分子图谱

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描述信息

MP Biomedicals

05205773

MP Biomedicals Rare Chemical collection

Sigma Aldrich

N13054

包装
25, 100 g in glass bottle

描述信息

参考文献

PubChem文献

数据源提供

• For the protection of alcohols, introduction of the group by the use of silver oxide has been recommended. Selective cleavage can be accomplished with DDQ (2,3-Dichloro-5,6-dicyanobenzoquinone, A11879) or by anodic oxidation. Many other benzyl-type protecting groups are unaffected by these conditions: Tetrahedron Lett., 31, 389 (1990). Indium metal in the presence of ammonium chloride is an effective deprotection system for 4-nitrobenzyl ethers and esters: J. Chem. Soc., Perkin 1, 955 (2001).

• Has been used as a protecting reagent for the carboxyl group in peptide synthesis: Helv. Chim. Acta, 42, 972 (1959); see 4-Nitrobenzyl chloride, A15749, and Appendix 6. Has also been used in ?-lactam synthesis. Cleavage by sodium sulfide avoids hydrogenolysis problems otherwise encountered with these sulfur-containing nuclei: J. Org. Chem., 43, 1243 (1978).

参考文献

生物活性

PubChem BioAssay

生物活性