[bromo(phenyl)methyl]benzene

• ChemBase编号: 92011
• 分子式: C13H11Br
• 平均质量: 247.13044
• 单一同位素质量: 246.00441235
• SMILES: BrC(c1ccccc1)c1ccccc1
• Canonical SMILES: BrC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C13H11Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
• InChIKey: OQROAIRCEOBYJA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [bromo(phenyl)methyl]benzene
• IUPAC传统名: bromodiphenylmethane
• 别名: 二苯基溴甲烷; 双苯溴甲烷; 溴代二苯甲烷; 二苯甲基溴; Diphenylbromomethane; Bromodiphenylmethane; Benzhydryl bromide; Bromodiphenylmethane; BENZHYDRYL BROMIDE; Diphenylmethyl bromide; (Bromophenylmethyl)benzene; Bromodiphenylmethane; Benzhydryl bromide

登记号

• CAS号: 776-74-9; 7796-74-9
• EC号: 212-279-8
• MDL号: MFCD00000134
• Beilstein号: 638544
• PubChem SID: 162078709; 24891916; 24850268
• PubChem CID: 236603
• Chemspider ID: 206530
• 维基百科标题: Bromodiphenylmethane

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.5302234
• LogD (pH = 7.4): 4.5302234
• Log P: 4.5302234
• 摩尔折射率: 63.1912 cm^3
• 极化性: 24.324116 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 35-39 °C(lit.); 35-40 °C; 36-41°C; 40 - 42°C; 40-42°C
• 沸点: 183-185°C/20mm; 184 °C/20 mmHg(lit.); 184°C
• 闪点: >110°C(230°F); 112 °C; 233.6 °F

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Moisture Sensitive
• RTECS编号: PA5350000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 1770; UN1770
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 2X
• 危险公开号: 34; 34-37; R:14-34; R:34
• 安全公开号: 26-36/37/39-45; S:26-27/28-36/37/39-46-64; S:27/28-30-36/37/39-45
• 欧盟危险货物分类: C9
• 欧盟危险识别号(EUHIN): 8B
• 美国ERG指导号: 153
• TSCA收录: 是
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318
• GHS警示性声明: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1770 8/PG 2

产品相关信息

• 纯度: ≥90% (GC); 90+%; 95%; 96-97%
• 级别: technical
• 线性分子式: (C6H5)2CHBr

详细说明

MP Biomedicals - 02154874

(Benzhydryl bromide; Diphenylmethyl bromide) Purity: 96-97% Crystalline Light brown powder. C13H11Br MW 247.1

Sigma Aldrich - B65403

包装
25, 100 g in glass bottle

参考文献

• Compare also Benzhydrol, A12884.
• The benzhydryl group was preferred to the commoner benzyl to protect 2-nitrophenol in the Bartoli (vinyl Grignard) synthesis of 7-hydroxyindole. Protection was by reaction with the phenol in the presence of potassium carbonate in acetone; deprotection of the indole was by hydrogenolysis: Synth. Commun., 21, 611 (1991).