1-chloropropan-2-one

• ChemBase编号: 89696
• 分子式: C3H5ClO
• 平均质量: 92.5242
• 单一同位素质量: 92.00289246
• SMILES: ClCC(=O)C
• Canonical SMILES: CC(=O)CCl
• InChI: InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3
• InChIKey: BULLHNJGPPOUOX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-chloropropan-2-one
• IUPAC传统名: chloroacetone; tonite
• 别名: 氯丙酮, 95%, 0.1%环氧大豆油作稳定剂; 1-氯-2-丙酮; 一氯丙酮; 氯丙酮; 1-Chloro-2-propanone; Chloroacetone, 95%, stab. with 0.1% epoxidized soybean oil; Chloro-2-propanone; Chloroacetone; 1-Chloropropan-2-one; 1-Chloroacetone 95%; Acetonyl chloride, chloropropanone, 1-chloro-2-propanone, monochloroacetone, 1-chloro-2-ketopropane, 1-chloro-2-oxypropane; UN 1695; Chloroacetone; MCA

登记号

• CAS号: 78-95-5
• EC号: 201-161-1
• MDL号: MFCD00000936
• Beilstein号: 605369
• 默克索引号: 142114
• PubChem SID: 162076559; 24846855; 24850211
• PubChem CID: 6571
• CHEBI ID: 47220
• Chemspider ID: 6323
• 美国药典/FDA物质标识码: 60ZTR74268
• 维基百科标题: Chloroacetone

理论计算性质

• Acid pKa: 17.131659
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.6436236
• LogD (pH = 7.4): 0.6436236
• Log P: 0.6436236
• 摩尔折射率: 20.948 cm^3
• 极化性: 8.223519 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

• 溶解度: 10 g/100 mL at 20 °C in water; alcohol, ether, chloroform
• 外观: Colorless liquid, oxidizes to amber
• 熔点: -44.5 °C; -44.5°C; -45°C; -45°C
• 沸点: 118-120°C; 118-120°C; 119°C; 120 °C(lit.)
• 闪点: 35 °C; 35 °C; 40°C; 40°C(104°F); 95 °F
• 自燃点: 610 °C
• 密度: 1.15 g/cm^3 at 20 °C; 1.161; 1.162; 1.162 g/mL at 25 °C(lit.)
• 折射率: 1.432; 1.4340; n20/D 1.432; n20/D 1.432(lit.)
• 蒸汽压: 1.5 kPa

安全信息

• 保存条件: Darkens on storage.
• 保存注意事项: Very Toxic/Flammable/Corrosive/Lachrymatory/Light Sensitive/Keep Cold
• RTECS编号: UC0700000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 1695; UN1695
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 1; I
• 危险公开号: 10-23/24/25-34-50/53; 10-24/25-26-36/37/38-50/53
• 安全公开号: 16-23-36/37/39-45-60-61; 26-36/37/39-45-60-61; R
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS06; GHS09
• GHS警示词: Danger
• 半数致死量: 100 mg/kg (rats, oral)
• 爆炸极限: 3.4% - ?
• GHS危险声明: H226-H301-H310 + H330-H315-H319-H335-H400; H301-H310-H330-H314-H318-H226-H400-H410
• GHS警示性声明: P260-P273-P280-P284-P301 + P310-P302 + P350; P280-P273-P305+P351+P338-P309-P310-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1695 6.1/PG 1
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥90% (GC); ≥96.0% (GC); 95%
• 级别: produced by Wacker; technical
• 杂质: ~5% 1,1-dichloroacetone and/or mesityl oxide; 1,1-dichloroacetone, trace; acetone, trace
• 其他组分: ~0.1% Drapex 39 as stabilizer; ~0.5% CaCO3 as stabilizer; 0.5% calcium carbonate as stabilizer
• 线性分子式: ClCH2COCH3

详细说明

Apollo Scientific Ltd - OR5290

Stabilised with 0.1% epoxidised soybean oil

Sigma Aldrich - 10905

Other Notes
根据要求提供批量采购价
包装
1 kg in glass bottle

Sigma Aldrich - 167479

包装
5, 100, 500 g in glass bottle