2-chlorobenzoyl chloride

• ChemBase编号: 89754
• 分子式: C7H4Cl2O
• 平均质量: 175.01206
• 单一同位素质量: 173.96392011
• SMILES: O=C(c1c(cccc1)Cl)Cl
• Canonical SMILES: ClC(=O)c1ccccc1Cl
• InChI: InChI=1S/C7H4Cl2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H
• InChIKey: ONIKNECPXCLUHT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chlorobenzoyl chloride
• IUPAC传统名: 2-chlorobenzoyl chloride; benzoyl chloride, 2-chloro-
• 别名: 邻氯苯甲酰氯; 2-氯苯甲酰氯; 2-chlorobenzoyl chloride; 2-Chlorobenzoyl chloride; 2-Chlorobenzoyl chloride 97%

登记号

• CAS号: 609-65-4
• EC号: 210-194-0
• MDL号: MFCD00000660
• Beilstein号: 386435
• PubChem SID: 24854234; 162076610; 24846630
• PubChem CID: 69110

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.768203
• LogD (pH = 7.4): 2.768203
• Log P: 2.768203
• 摩尔折射率: 41.9775 cm^3
• 极化性: 16.017103 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°C; -4°C; -4--3 °C(lit.)
• 沸点: 237-239°C; 237-239°C; 238 °C(lit.)
• 闪点: 124 °C; 125°C; 125°C(257°F); 255.2 °F
• 密度: 1.379; 1.38; 1.382 g/mL at 25 °C(lit.)
• 折射率: 1.5718; 1.572; n20/D 1.572; n20/D 1.572(lit.)

安全信息

• 保存注意事项: Corrosive/Lachrymatory/Moisture Sensitive/Store under Argon; 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; UN3094
• 德国WGK号: 1
• 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
• 安全公开号: 26-36/37/39-45
• TSCA收录: 是
• 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

产品相关信息

• 纯度: ≥97.0% (HPLC); 95%; 97%
• 级别: purum
• 线性分子式: ClC6H4COCl

详细说明

Sigma Aldrich - 103918

包装
5, 100, 500 g in glass bottle

参考文献

• Can be used to introduce a carboxyl group into an aromatic ring by Friedel-Crafts acylation, followed by cleavage of the resulting ketone with KO-t-Bu. With this aryl group, cleavage occurs in only one of the two possible senses. For an example, (ferrocenecarboxylic acid), see: Org. Synth. Coll., 6, 625 (1988).