2-bromoethan-1-ol

• ChemBase编号: 87290
• 分子式: C2H5BrO
• 平均质量: 124.9645
• 单一同位素质量: 123.95237678
• SMILES: BrCCO
• Canonical SMILES: OCCBr
• InChI: InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2
• InChIKey: LDLCZOVUSADOIV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-bromoethan-1-ol
• IUPAC传统名: 2-bromoethanol
• 别名: 亚乙基溴醇; 2-溴乙醇; Ethylene bromohydrin; 2-Bromoethan-1-ol; 2-bromoethanol; 2-Hydroxyethyl bromide; 2-Bromoethanol

登记号

• CAS号: 540-51-2
• EC号: 208-748-1
• MDL号: MFCD00002827
• Beilstein号: 878140
• 默克索引号: 143792
• PubChem SID: 24867805; 24891919; 162074401; 24849925
• PubChem CID: 10898

理论计算性质

• Acid pKa: 14.914254
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.33140802
• LogD (pH = 7.4): 0.33140802
• Log P: 0.33140802
• 摩尔折射率: 20.5881 cm^3
• 极化性: 8.047208 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -80°C
• 沸点: 149-150°C; 56-57 °C/20 mmHg(lit.); 56-57°C
• 闪点: >110°C(230°F); 110 °C; 110°C; 230 °F
• 密度: 1.762; 1.763; 1.763 g/mL at 25 °C(lit.)
• 折射率: 1.4930; n20/D 1.492(lit.); n20/D 1.494
• 蒸汽压: 2.4 mmHg ( 20 °C)
• 蒸汽密度: 4.3 (vs air)

安全信息

• 保存注意事项: Light Sensitive; Toxic/Corrosive/Mutagenic/Carcinogenic/Hygroscopic/Light Sensitive/Lachrymatory
• RTECS编号: KJ8225000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2922; UN2927
• 德国WGK号: 3
• 联合国危险货物等级: 6.1; 8
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 23/24/25-34; 23/24/25-34-68
• 安全公开号: 26-36/37/39-45; 4-9-20-23-26-27-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H300-H310-H330-H314-H318-H341; H301 + H311 + H331-H314
• GHS警示性声明: P260-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A; P261-P280-P301 + P310-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2922 8/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥95.0% (GC); 95%; 97%
• 级别: analytical standard; purum
• 包装: ampule of 1000 mg
• 线性分子式: BrCH2CH2OH

详细说明

Sigma Aldrich - B65586

Application
2-溴乙醇可用于硝基芳烃（PcFe(II)/NaBH4/2-溴乙醇催化体系）的选择还原反应。
包装
5, 100, 500 g in glass bottle

Sigma Aldrich - 16140

Caution
储存时可变为褐色

参考文献

• Carboxylic acids protected as their 2-bromoethyl esters are readily deprotected by cleavage with sodium trithiocarbonate: Synthesis, 715 (1974). 2-Bromoethyl esters of amino acids have been cleaved by conversion with NaI (Finkelstein) to the corresponding iodo esters, followed by reductive cleavage with Zn in DMF: Chem. Ber., 112, 2145 (1979); Angew. Chem. Int. Ed., 20, 894 (1981). See also Appendix 6.