acetyl chloride

• ChemBase编号: 125602
• 分子式: C2H3ClO
• 平均质量: 78.49762
• 单一同位素质量: 77.9872424
• SMILES: ClC(=O)C
• Canonical SMILES: CC(=O)Cl
• InChI: InChI=1S/C2H3ClO/c1-2(3)4/h1H3
• InChIKey: WETWJCDKMRHUPV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: acetyl chloride
• IUPAC系统名: Ethanoyl chloride
• IUPAC传统名: acetyl chloride
• 别名: 乙酰氯 溶液; 氯乙酰; 乙酰氯; Acetyl chloride; Acetyl chloride solution; Ethanoyl chloride; Acetic chloride; Acetyl chloride

登记号

• CAS号: 75-36-5
• EC号: 200-865-6
• MDL号: MFCD00000719
• Beilstein号: 605303
• 默克索引号: 1485
• PubChem SID: 24845125; 24859250; 24847160; 24854381; 162219952
• PubChem CID: 6367
• CHEBI ID: 37580
• Chemspider ID: 6127
• 美国药典/FDA物质标识码: QD15RNO45K
• 维基百科标题: Acetyl_chloride

理论计算性质

• Acid pKa: 19.32698
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.30998394
• LogD (pH = 7.4): 0.30998394
• Log P: 0.30998394
• 摩尔折射率: 16.5022 cm^3
• 极化性: 6.4507504 Å^3
• 极化表面积: 17.07 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: Reacts in water
• 外观: colorless liquid; Liquid
• 熔点: -112 °C(lit.); -112°C; -112°C
• 沸点: 50-52°C; 52 °C(lit.); 52°C
• 闪点: 39.2 °F; 4 °C; 4°C(39°F); 41 °F; 5 °C; 5°C (41°F)
• 自燃点: 1353 °F; 390 °C
• 密度: 1.104; 1.104 g/mL at 25 °C(lit.); 1.104 g/ml, liquid; 1.105 g/mL at 20 °C; 1.294 g/mL at 25 °C
• 折射率: 1.3890; n20/D 1.389; n20/D 1.389(lit.); n20/D 1.423
• 蒸汽压: 11.69 psi ( 20 °C); 32.33 psi ( 55 °C)
• 蒸汽密度: 2.7 (vs air)

安全信息

• 保存注意事项: Moisture Sensitive
• RTECS编号: AO6390000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); Corrosive (C); 易燃性(Flammable) (F); Flammable (F); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1717; 3286; UN1717
• 德国WGK号: 1; 2
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 11-14-34; 11-14-36/38-40; R11 R14 R34
• 安全公开号: 16-26-36/37; 9-16-26-45; S1/2 S9 S16 S26 S45
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS07; GHS08
• GHS警示词: Danger
• 爆炸极限: 19 %; 7.3–19%
• GHS危险声明: H225-H314; H225-H314-H318-H302; H225-H314-H351
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US); Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1717 3/PG 2; UN 3286 3/PG 2
• 欧盟补充危害声明: Reacts violently with water.

产品相关信息

• 纯度: ≥98.0% (T); ≥99%; ≥99.0% (T); 98%; 99+%
• 浓度: 1 M in methylene chloride
• 级别: puriss. p.a.; purum; reagent grade; ReagentPlus®
• 痕量阳离子: Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.1 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.5 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• 线性分子式: CH3COCl
• Empirical Formula (Hill Notation): C2H3ClO

详细说明

Sigma Aldrich - 708496

包装
100, 500 mL in Sure/Seal™

Sigma Aldrich - 320129

包装
1 kg in glass bottle

Sigma Aldrich - 239577

包装
50 g in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 114189

包装
1 kg in glass bottle
25, 500 g in glass bottle
玻璃瓶包装