2-chloro-1,3,2λ5-dioxaphospholan-2-one

• ChemBase编号: 150614
• 分子式: C2H4ClO3P
• 平均质量: 142.478121
• 单一同位素质量: 141.9586583
• SMILES: C1COP(=O)(O1)Cl
• Canonical SMILES: ClP1(=O)OCCO1
• InChI: InChI=1S/C2H4ClO3P/c3-7(4)5-1-2-6-7/h1-2H2
• InChIKey: SBMUNILHNJLMBF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-1,3,2λ^5-dioxaphospholan-2-one
• IUPAC传统名: 2-chloro-1,3,2λ^5-dioxaphospholan-2-one
• 别名: 2-氯-2-氧-1,3,2-二氧磷杂环戊烷; 环氯磷酸乙烯酯; 2-氯-1,3,2-二氧磷杂环戊烷 2-氧化物; 2-氯-1,3,2-二氧磷杂环戊烷-2-氧化物; 2-氯-2-氧-1,3,2-二氧磷杂环戊烷; 环氯磷酸乙烯酯; 2-Chloro-2-oxo-1,3,2-dioxaphospholane; Ethylene glycol chlorophosphate; 2-Chloro-1,3,2-dioxaphospholane 2-oxide; 2-Chloro-1,3,2-dioxaphospholane-2-oxide; Ethylene cycl-chlorophosphate; 2-Chloro-2-oxo-1,3,2-dioxaphospholane; 2-Chloro-1,3,2-dioxaphospholane 2-oxide; Ethylene chlorophosphate

登记号

• CAS号: 6609-64-9
• EC号: 229-560-6
• MDL号: MFCD00043138
• Beilstein号: 606582
• PubChem SID: 162244775; 24863533; 24855591
• PubChem CID: 81087

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.329689
• LogD (pH = 7.4): 0.329689
• Log P: 0.329689
• 摩尔折射率: 25.2192 cm^3
• 极化性: 10.584635 Å^3
• 极化表面积: 35.53 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: 12-14 °C; 12-14 °C (neat)(lit.); 12-14°C
• 沸点: 89-91 °C/0.8 mmHg(lit.); 98-99°C/2mm
• 闪点: >110°C(230°F); >113 °C; >235.4 °F; 113 °C; 235 °F
• 密度: 1.55 g/mL at 20 °C(lit.); 1.55 g/mL at 25 °C(lit.); 1.56
• 折射率: 1.4500; n20/D 1.448; n20/D 1.449; n20/D 1.45(lit.)

安全信息

• 保存注意事项: Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3265; UN3265
• 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; II
• 危险公开号: 14-34
• 安全公开号: 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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 3265 8/PG 2
• 欧盟补充危害声明: Reacts violently with water.
• 保存温度: -20°C

产品相关信息

• 纯度: ~85% (NMR); ≥95.0% (NMR); 95%
• 级别: purum; technical
• 杂质: <10% 2-Chloro-1,3,2-dioxaphospholane
• Empirical Formula (Hill Notation): C2H4ClO3P

详细说明

Sigma Aldrich - 377953

包装
1, 5 g in glass bottle
Application
Reactant for:
• Synthesis of amino-functionalized hybrid hydrocarbon/fluorocarbon double-chain phospholipid
• Synthesis of UV-polymerizable lipids via Chabrier reaction
• Syntheses of block copolymers of poly(aliphatic ester) with clickable polyphosphoester
• Imprinting molecular recognition sites on multiwalled carbon nanotubes surface for electrochemical detection of insulin in real samples
• Synthesis of a zwitterionic silane
• Synthesis of a core-shell-corona micelle stabilized by reversible cross-linkage for intracellular drug delivery
用于合成磷脂酰胆碱的磷酸化试剂。1,2

Sigma Aldrich - 25748

Other Notes
与三甲胺配合使用，将醇类转化为磷酰胆碱的试剂1,2,3