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Merck
CN

22820

Sigma-Aldrich

氯丙酮

technical, ≥90% (GC)

别名:

1-氯-2-丙酮, 氯-2-丙酮

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线性分子式:
ClCH2COCH3
化学文摘社编号:
分子量:
92.52
Beilstein:
605369
EC 号:
MDL编号:
UNSPSC代码:
12352100
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等级

technical

方案

≥90% (GC)

包含

~0.5% CaCO3 as stabilizer

杂质

1,1-dichloroacetone, trace
acetone, trace

折射率

n20/D 1.432 (lit.)
n20/D 1.432

沸点

120 °C (lit.)

密度

1.162 g/mL at 25 °C (lit.)

储存温度

2-8°C

SMILES字符串

CC(=O)CCl

InChI

1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3

InChI key

BULLHNJGPPOUOX-UHFFFAOYSA-N

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Danger

危险分类

Acute Tox. 2 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B - STOT SE 3

靶器官

Respiratory system

储存分类代码

3 - Flammable liquids

WGK

WGK 3

闪点(°F)

95.0 °F - closed cup

闪点(°C)

35 °C - closed cup

个人防护装备

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

法规信息

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分析证书(COA)

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Lin Shen et al.
The Journal of chemical physics, 135(19), 194305-194305 (2011-11-25)
The stationary and intersection structures on the S(0) and S(1) potential energy surfaces of CH(3)COCH(2)Cl have been determined by the CAS(10,8)/cc-pVDZ optimizations and their relative energies are refined by the CASPT2//CAS(10,8)/cc-pVDZ single-point calculations. Non-adiabatic molecular dynamics simulations were performed on
[Reaction of 1-acyl-4-(p-tolyl)-thiosemicarbazide with alpha-halogenketones. III. (1,2) chyclization with omega-bromacetophenone].
S Biliński et al.
Annales Universitatis Mariae Curie-Sklodowska. Sectio D: Medicina, 43, 59-66 (1988-01-01)
Dose-response relationships for mutations induced in E. coli by some model compounds. With an addendum: Reaction kinetics in water of chloroethylene oxide, chloroacetaldehyde, and chloroacetone.
S Hussain et al.
Hereditas, 101(1), 57-68 (1984-01-01)
Highly enantioselective proline-catalysed direct aldol reaction of chloroacetone and aromatic aldehydes.
Ángel Martínez-Castañeda et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 18(17), 5188-5190 (2012-03-22)
Bridget W Alligood et al.
The Journal of chemical physics, 135(3), 034302-034302 (2011-07-27)
We use a combination of crossed laser-molecular beam scattering experiments and velocity map imaging experiments to investigate the three primary photodissociation channels of chloroacetone at 193 nm: C-Cl bond photofission yielding CH(3)C(O)CH(2) radicals, C-C bond photofission yielding CH(3)CO and CH(2)Cl

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