phenylphosphonoyl dichloride

• ChemBase编号: 88368
• 分子式: C6H5Cl2OP
• 平均质量: 194.983061
• 单一同位素质量: 193.94550677
• SMILES: P(=O)(c1ccccc1)(Cl)Cl
• Canonical SMILES: ClP(=O)(c1ccccc1)Cl
• InChI: InChI=1S/C6H5Cl2OP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
• InChIKey: IBDMRHDXAQZJAP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: phenylphosphonoyl dichloride
• IUPAC传统名: phosphonic dichloride, phenyl-
• 别名: 苯膦氧化二氯; 苯膦酰二氯; 苯基二氯化磷; PHENYL PHOSPHONIC DICHLORIDE; Dichlorophenylphosphine oxide; Phenylphosphonic dichloride; Benzenephosphonyl chloride; Phenyldichlorophosphine oxide; Phenylphosphonyl dichloride; Phenylphosphoryl dichloride; P,P-Dichlorophenylphosphine oxide; Phenylphosphonic dichloride; Benzenephosphonic dichloride

登记号

• CAS号: 824-72-6
• EC号: 212-534-3
• MDL号: MFCD00002070
• Beilstein号: 1072240
• PubChem SID: 24862310; 162075328; 24864291
• PubChem CID: 69990

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.8198
• LogD (pH = 7.4): 2.8198
• Log P: 2.8198
• 摩尔折射率: 44.3898 cm^3
• 极化性: 17.400133 Å^3
• 极化表面积: 17.07 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

• 熔点: 1-3°C; 3 °C(lit.); 3°C
• 沸点: 258 °C(lit.); 258°C; 258°C
• 闪点: 204 °C; 204°C; 204°C(399°F); 399.2 °F
• 密度: 1.375; 1.375 g/ml; 1.375 g/mL at 25 °C(lit.); 1.379
• 折射率: 1.5600; n20/D 1.559; n20/D 1.559(lit.)

安全信息

• 保存注意事项: Corrosive/Moisture Sensitive/Store under Argon; Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X
• 联合国危险货物编号: 3265; UN3094
• 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: 14-22-34; 14-34-37
• 安全公开号: 26-45; 8-26-30-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H314-H318; H314
• GHS警示性声明: P260-P301+P310-P303+P361+P353-P305+P351+P338-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.

产品相关信息

• 纯度: ≥90% (GC); 90%; 90+%
• 级别: technical; technical grade
• 线性分子式: C6H5POCl2

详细说明

MP Biomedicals - 05212985

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 389560

包装
100, 500 mL in glass bottle

参考文献

• Effective reagent for the chlorinative dehydration of some heterocycles, in cases where conventional reagents such as POCl₃ or P₂O₅ fail; see, e.g.: J. Med. Chem., 14, 339 (1971):