2,2-diphenylacetyl chloride

• ChemBase编号: 123322
• 分子式: C14H11ClO
• 平均质量: 230.68954
• 单一同位素质量: 230.04984265
• SMILES: C(=O)(C(c1ccccc1)c1ccccc1)Cl
• Canonical SMILES: ClC(=O)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H11ClO/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
• InChIKey: MSYLETHDEIJMAF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2-diphenylacetyl chloride
• IUPAC传统名: diphenyl-acetyl chloride
• 别名: 二苯基乙酰氯; 2,2-diphenylacetyl chloride; Diphenylacetyl chloride

登记号

• CAS号: 1871-76-7
• EC号: 217-493-5
• MDL号: MFCD00013655
• Beilstein号: 1211588
• 默克索引号: 143316
• PubChem SID: 24859978; 162217675
• PubChem CID: 74637

理论计算性质

• Acid pKa: 16.647774
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.821114
• LogD (pH = 7.4): 3.821114
• Log P: 3.821114
• 摩尔折射率: 65.8936 cm^3
• 极化性: 25.529875 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 49-53 °C(lit.); 50-56°C
• 沸点: 175-176 °C/17 mmHg(lit.); 175-176°C/17mm
• 闪点: 113 °C; 235.4 °F

安全信息

• 保存注意事项: Moisture Sensitive
• RTECS编号: AO6750000
• 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: 2
• 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: 34; 34-36/37
• 安全公开号: 26-27-28-36/37/39-45; 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H314-H318-H303; H314-H335
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-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 2

产品相关信息

• 纯度: 90%; 90+%
• 级别: technical grade
• 线性分子式: (C6H5)2CHCOCl

详细说明

Sigma Aldrich - 331589

包装
5, 25 g in glass bottle

参考文献

• Sugars have been protected as diphenylacetyl (DPA) esters by reaction with the acid chloride in pyridine. Removal was by photobromination with NBS and reaction with thiourea: Synthesis, 97 (1994).
• Precursor of diphenylketene by dehydrohalogenation with triethylamine: Org. Synth. Coll., 6, 549 (1988). Compare Benzil monohydrazone, A18457.