2-[2-(2-chloroethoxy)ethoxy]ethan-1-ol

• ChemBase编号: 147458
• 分子式: C6H13ClO3
• 平均质量: 168.61862
• 单一同位素质量: 168.05532196
• SMILES: C(COCCOCCCl)O
• Canonical SMILES: OCCOCCOCCCl
• InChI: InChI=1S/C6H13ClO3/c7-1-3-9-5-6-10-4-2-8/h8H,1-6H2
• InChIKey: KECMLGZOQMJIBM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[2-(2-chloroethoxy)ethoxy]ethan-1-ol
• IUPAC传统名: 2-[2-(2-chloroethoxy)ethoxy]ethanol
• 别名: 三乙二醇单氯醇; 2-[2-(2-氯乙氧基)乙氧基]乙醇; Triethylene glycol monochlorohydrin; 2-[2-(2-Chloroethoxy)ethoxy]ethanol; 2-[(2-Chloroethoxy)ethoxy]ethanol; 8-Chloro-3,6-dioxa-1-octanol; 8-Chloro-3,6-dioxaoctanol; Diethylene Glycol Mono(2-chloroethyl) Ether; NSC 2636; Triethylene Glycol Monochloride; 2-[2-(2-Chloroethoxy)ethoxy]ethanol; 2-(2-(2-Chloroethoxy)ethoxy)ethanol

登记号

• CAS号: 5197-62-6
• EC号: 225-984-0
• MDL号: MFCD00002874
• Beilstein号: 1739194
• PubChem SID: 24850015; 162241646
• PubChem CID: 78871

理论计算性质

• Acid pKa: 15.121156
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.051961757
• LogD (pH = 7.4): 0.05196175
• Log P: 0.051961757
• 摩尔折射率: 39.6916 cm^3
• 极化性: 15.720099 Å^3
• 极化表面积: 38.69 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform
• 外观: Clear Pale Yellow Oil
• 沸点: 117-120 °C/5 mmHg(lit.)
• 闪点: 107 °C; 224.6 °F
• 密度: 1.16 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.458(lit.)

安全信息

• 保存条件: Hygroscopic, Refrigerator, Under Inert Atmosphere
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: 95+%; 96%
• 线性分子式: Cl(CH2CH2O)2CH2CH2OH

详细说明

Sigma Aldrich - 162973

包装
10 g in glass bottle

Toronto Research Chemicals - C365760

2-[2-(2-Chloroethoxy)ethoxy]ethanol is used in the preparation of ethylene glycol based amino acids. 2-[2-(2-Chloroethoxy)ethoxy]ethanol is also used in the preparation of polymers for direct and amplified DNA detection.

参考文献

• Slama, J. et al.: Biochemistry, 19, 4595 (1980)
• Tansil, N.C. et al.: Chem. Comm., 47, 1533 (1980)