2-chloro-2,4-dihydro-1,3,2-benzodioxaphosphinin-4-one

• ChemBase编号: 87888
• 分子式: C7H4ClO3P
• 平均质量: 202.531621
• 单一同位素质量: 201.9586583
• SMILES: O1C(=O)c2c(cccc2)OP1Cl
• Canonical SMILES: ClP1OC(=O)c2c(O1)cccc2
• InChI: InChI=1S/C7H4ClO3P/c8-12-10-6-4-2-1-3-5(6)7(9)11-12/h1-4H
• InChIKey: BVOITXUNGDUXRW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-2,4-dihydro-1,3,2-benzodioxaphosphinin-4-one
• IUPAC传统名: 2-chloro-1,3,2-benzodioxaphosphinin-4-one
• 别名: 2-氯-1,3,2-苯并二氧磷杂环己烷-4-酮; 2-氯-4H-1,3,2-苯并二氧磷-4-酮; Salicyl Phosphorochloridite; NSC 40209; 2-Chloro-4H-1,2,3-benzodioxaphosphorin-4-one 90%; SalPCl; 2-Chloro-1,3,2-benzodioxaphosphorin-4-one; Salicyl chlorophosphite; 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one; 2-Chloro-4H-benzo[d][1,3,2]dioxaphosphinin-4-one; 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one

登记号

• CAS号: 5381-99-7
• MDL号: MFCD00013353
• Beilstein号: 1311951
• PubChem SID: 24854081; 162074928; 24859425
• PubChem CID: 237010

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.4658
• LogD (pH = 7.4): 2.4658
• Log P: 2.4658
• 摩尔折射率: 46.1254 cm^3
• 极化性: 17.577293 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

• 溶解度: Toluene
• 外观: White Crystalline Solid
• 熔点: 36-40 °C(lit.); 36-40°C; 36-40°C; 37-40°C
• 沸点: 127-128 °C/11 mmHg(lit.); 127-128°C/11mm
• 闪点: >110°C(230°F); 113 °C; 235.4 °F

安全信息

• 保存注意事项: Corrosive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3261; UN3261
• 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): 1; II
• 危险公开号: 14-34; 34
• 安全公开号: 20-26-36/37/39-45-60; 26-36/37/39-43-45; 26-36/37/39-43-45-Neverusewater.
• 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: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 1
• 欧盟补充危害声明: Reacts violently with water.
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥95.0% (AT); 95%; 95+%; 97%
• 级别: purum
• Empirical Formula (Hill Notation): C7H4ClO3P

详细说明

Apollo Scientific Ltd - OR3651T

Highly reactive cyclic phosphitylating reagent which provides fast coupling rates, & hydrolic cleavage that occurs more readily than with acrylic analogs.

Sigma Aldrich - 324124

Application
Reagent used in phosphorylation and phosphitylation of alcohols and in the formation of H-phosphonates.
包装
5, 25 g in glass bottle

Sigma Aldrich - 23514

Other Notes
用于核苷和碳水化合物的亚磷酸化剂1,2,3；由醇合成三磷酸酯和 1-硫代三磷酸酯4

Toronto Research Chemicals - C365000

Highly reactive cyclic phosphitylating reagent which provides fast coupling rates, and hydrolytic cleavage occurs more readily than with acyclic analogs.

参考文献

• Bannwarth,W. & Kung, E.: Tetrahedron Lett., 30, 4219 (1989)