2-methoxyethyl chloroformate

• ChemBase编号: 139608
• 分子式: C4H7ClO3
• 平均质量: 138.54958
• 单一同位素质量: 138.00837176
• SMILES: COCCOC(=O)Cl
• Canonical SMILES: COCCOC(=O)Cl
• InChI: InChI=1S/C4H7ClO3/c1-7-2-3-8-4(5)6/h2-3H2,1H3
• InChIKey: NDYYWMXJZWHRLZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxyethyl chloroformate
• IUPAC传统名: 2-methoxyethyl chloroformate
• 别名: 2-甲氧基氯甲酸乙酯; (2-Methoxyethoxy)carbonyl chloride; (Chloro)(2-methoxyethoxy)methanone; 2-Methoxyethyl carbonochloridate; Chloroformic acid 2-methoxyethyl ester; 2-Methoxyethyl chloroformate

登记号

• CAS号: 628-12-6
• EC号: 211-026-9
• MDL号: MFCD00058932
• PubChem SID: 162233856; 24881382
• PubChem CID: 69400

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.88229954
• LogD (pH = 7.4): 0.88229954
• Log P: 0.88229954
• 摩尔折射率: 29.1693 cm^3
• 极化性: 11.621042 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 157-158 °C(lit.)
• 闪点: 136.4 °F; 58 °C
• 密度: 1.192 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.4200(lit.)

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2920
• 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
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS02; GHS05
• GHS警示词: Danger
• GHS危险声明: H226-H314
• GHS警示性声明: P280-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 2920 8/PG 2
• 保存温度: 2-8°C

产品相关信息

• 线性分子式: CH3OCH2CH2OCOCl

详细说明

Sigma Aldrich - 592293

包装
5, 25, 250 mL in glass bottle
Application
Reactant for:
• Preparation of N-bridged bicyclic sulfonamides as inhibitors of γ-secretase1
• Preparation of dimethoxyethyl azodicarboxylate via amidation/oxidation and application to Mitsunobu reaction2
• Regioselective, stereoselective, and kinetically-controlled nickel-catalyzed cyanoesterification of allenes chloroformates and TMSCN3
• Preparation of amino carboxamidobenzothiazoles as Lck inhibitors4
• Preparation of nonracemic spirooxindoles using a stereoselective three-component coupling reaction as the key step and using acylation reactions to add structural diversity5