2-chloroethan-1-ol

• ChemBase编号: 123398
• 分子式: C2H5ClO
• 平均质量: 80.5135
• 单一同位素质量: 80.00289246
• SMILES: ClCCO
• Canonical SMILES: OCCCl
• InChI: InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
• InChIKey: SZIFAVKTNFCBPC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloroethan-1-ol
• IUPAC传统名: 2-chloroethanol
• 别名: 2-氯乙基醇; 2-氯乙醇; 2-Chloroethanol; 2-chloroethanol; Chloroethanol; 2-Chloro-1-ethanol; β-Chloroethanol; δ-Chloroethanol; 2-Chloroethyl alcohol; Ethylchlorhydrin; Ethylene chlorohydrin; Glycol chlorohydrin; Glycol monochlorohydrin; 2-Hydroxyethyl chloride; β-Hydroxyethyl chloride; 2-Monochloroethanol

登记号

• CAS号: 107-07-3
• EC号: 203-459-7
• MDL号: MFCD00002829
• Beilstein号: 878139
• 默克索引号: 143793
• PubChem SID: 162217751; 24853767; 24851176; 24862728
• PubChem CID: 34
• CHEBI ID: 28200
• CHEMBL: 191244
• Chemspider ID: 21106015
• Gmelin ID: 25389
• KEGG ID: C06753
• 医学主题词(MeSH): Ethylene+Chlorohydrin
• 美国药典/FDA物质标识码: 753N66IHAN
• 维基百科标题: 2-Chloroethanol

理论计算性质

• Acid pKa: 14.855936
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 0.14591278
• LogD (pH = 7.4): 0.14591277
• Log P: 0.14591278
• 摩尔折射率: 17.6046 cm^3
• 极化性: 6.9441943 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

• 外观: Colourless liquid; Liquid
• 熔点: -62.60°C (210.55K); -63°C; -89 °C(lit.)
• 沸点: 126.85 - 130.85°C (400 - 404 K); 129 °C(lit.); 129°C
• 闪点: 131 °F; 55 °C; 55°C(131°F)
• 自燃点: 425 °C; 797 °F
• 密度: 1.201 g mL^-1; 1.201 g/mL at 25 °C(lit.); 1.202
• 折射率: 1.441; 1.4410; n20/D 1.441(lit.); n20/D 1.442
• 蒸汽压: 5 mmHg ( 20 °C); 700 Pa (at 20 °C)
• 蒸汽密度: 2.78 (vs air)
• 分配系数: -0.107
• 标准摩尔燃烧焓 (ΔcH^o298): -1.1914 MJ mol^-1

安全信息

• RTECS编号: KK0875000
• 欧盟危险性物质标志: 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 1135; UN1135
• 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): 1; I
• 危险公开号: 10-26/27/28; 26/27/28; r26/27/28
• 安全公开号: 1/2-7/9-28-45; 7/9-28-45; s1/2, s45
• TSCA收录: 是
• 欧盟危险品索引: 603-028-00-7
• GHS危险品标识: GHS flame; GHS skull and crossbones; GHS02; GHS06
• GHS警示词: DANGER; Danger
• 半数致死量: 67 mg kg^-1 (dermal, rabbit)
• 爆炸极限: 16 %; 5–16%
• GHS危险声明: 226, 300, 310, 330; H226-H300-H310-H330; H300-H310-H330-H226
• GHS警示性声明: 260, 280, 284, 301+310, 302+350; P210-P301+P310-P303+P361+P353-P304+P340-P320-P330-P361-P405-P501A; P260-P264-P280-P284-P301 + P310-P302 + P350
• 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 1135 6.1/PG 1

产品相关信息

• 纯度: ≥98.0% (GC); ≥99% (GC); ≥99.0%; ≥99.0% (GC); 99%
• 级别: PESTANAL®, analytical standard; puriss. p.a.; purum; SAJ special grade
• 杂质: ≤0.02% free acid (as HCl); ≤0.1% water; ≤0.1% water (Karl Fischer)
• 痕量阳离子: Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• 线性分子式: ClCH2CH2OH

详细说明

Sigma Aldrich - 185744

包装
1 kg in glass bottle
50, 250 g in glass bottle

Sigma Aldrich - 36693

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

参考文献

• Hydroxyethylating agent in the synthesis of macrocyclic sulfides: Org. Synth. Coll., 8, 592 (1993).
• For use, in the presence of Li₂CO₃, for ketalization of di-2-pyridyl ketone, where conventional acid-catalyzed reaction with ethylene glycol gives poor results, see: Tetrahedron Lett., 1599 (1973).