bromotrichloromethane

• ChemBase编号: 88931
• 分子式: CBrCl3
• 平均质量: 198.2737
• 单一同位素质量: 195.82489504
• SMILES: ClC(Cl)(Cl)Br
• Canonical SMILES: ClC(Br)(Cl)Cl
• InChI: InChI=1S/CBrCl3/c2-1(3,4)5
• InChIKey: XNNQFQFUQLJSQT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bromotrichloromethane
• IUPAC传统名: bromotrichloromethane
• 别名: 三氯溴甲烷; 溴三氯甲烷; Bromotrichloromethane; Bromotrichloromethane

登记号

• CAS号: 75-62-7
• EC号: 200-886-0
• MDL号: MFCD00000783
• Beilstein号: 1732543
• PubChem SID: 24892061; 24850681; 162075824
• PubChem CID: 6383

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.146655
• LogD (pH = 7.4): 3.146655
• Log P: 3.146655
• 摩尔折射率: 2.3038 cm^3
• 极化性: 11.561372 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -6 °C(lit.); -6°C; -6°C
• 沸点: 104-105°C; 105 °C(lit.); 105°C
• 闪点: None
• 密度: 2.012; 2.012 g/mL at 25 °C(lit.); 2.015
• 折射率: 1.5060; 1.5065; n20/D 1.5065(lit.); n20/D 1.507
• 蒸汽压: 38.4 mmHg ( 25 °C)
• 蒸汽密度: 6.85 (vs air)

安全信息

• 保存注意事项: Toxic
• RTECS编号: PA5400000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2810; UN2810
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2; III
• 危险公开号: 20/21/22; 20/21/22-36/38
• 安全公开号: 26-36/37; 36/37
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H312-H332; H331-H302-H312-H315-H319
• GHS警示性声明: P280; P280H-P305+P351+P338-P304+P340-P310
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 2

产品相关信息

• 纯度: ≥98.0% (GC); 97%; 99%
• 级别: purum
• 线性分子式: BrCCl3

详细说明

MP Biomedicals - 05226130

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B82251

Application
用作甲基丙烯酸酯自由基聚合反应的链转移剂。1溴化剂。2
包装
100, 500 g in glass bottle

Sigma Aldrich - 18530

Application
用作甲基丙烯酸酯自由基聚合反应的链转移剂。1溴化剂。2
Other Notes
用作活性氢化合物的溴化试剂3,4；用于制备二氯亚甲基膦（Wittig 试剂）5

参考文献

• Precursor of dichlorocarbene, which adds to double bonds under phase-transfer conditions to give cyclopropanes: Liebigs Ann. Chem., 297 (1990).
• Bromine radical source. For use in the bromination of benzylic positions under sunlamp irradiation, see: J. Am. Chem. Soc., 82, 391 (1960); Synth. Commun., 6, 109 (1976).
• Reacts with Hexamethylphosphorous triamide, A12571, to give the dichloromethylenephosphorane, which undergoes Wittig reaction with aldehydes to give 1,1-dichloroalkenes, giving better results than the CCl₄/Ph₃P combination: Tetrahedron Lett., 1237, 1239 (1977); Synthesis, 554 (1980).