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Merck
CN

168548

Sigma-Aldrich

1,3-二氯丙酮

≥95%

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About This Item

线性分子式:
ClCH2COCH2Cl
CAS号:
分子量:
126.97
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

蒸汽密度

4.38 (vs air)

质量水平

蒸汽压

<0.1 mmHg ( 20 °C)

方案

≥95%

表单

solid

沸点

173 °C (lit.)

mp

39-41 °C (lit.)

溶解性

alcohol: very soluble
diethyl ether: very soluble
water: soluble

密度

1.383 g/mL at 25 °C (lit.)

官能团

chloro
ketone

储存温度

2-8°C

SMILES字符串

ClCC(=O)CCl

InChI

1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2

InChI key

SUNMBRGCANLOEG-UHFFFAOYSA-N

一般描述

1,3-二氯丙酮已通过TLC被鉴定为1,3-二氯丙醇的代谢物。已通过分光光度对1,3-二氯丙酮在二恶烷和乙腈水溶液中的可逆水合反应的动力学进行了研究

1,3-二氯丙酮是一种二卤酮衍生物,可用于合成复杂的多环肽的试剂。

应用

1,3-二氯丙酮在与给体底物(如丙酮,环戊酮和环己酮)的交叉羟醛反应中用作受体底物

警示用语:

Danger

危险分类

Acute Tox. 1 Inhalation - Acute Tox. 2 Dermal - Acute Tox. 2 Oral - Muta. 2 - Skin Corr. 1B

储存分类代码

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

法规信息

危险化学品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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访问文档库

Ling Lu et al.
The Journal of organic chemistry, 64(3), 843-853 (2001-10-25)
Cross-aldol reactions of carbonyl compounds were achieved by the catalysis of SmI(2) or SmI(3), together with molecular sieves, at ambient temperature. 1,3-Dichloroacetone and 1-chloroacetone can be used as acceptor substrates in the cross-aldol reactions with donor substrates such as acetone
Xiaoxiao Zhang et al.
Chemosphere, 242, 125227-125227 (2019-11-11)
It is crucial to explore the source, formation process and interdependence of disinfection byproducts (DBPs) to reduce their risk on public health. In this investigation, a source water was chlorinated to evaluate the initial formation rates and the maximum yields
1, 3-Dichloroacetone: A Robust Reagent for Preparing Bicyclic Peptides
Qingqing L et al.
ACS Omega, 5, 1840-1850 (2020)
Kinetics of the reversible hydration of 1, 3-dichloroacetone in dioxan and acetonitrile solution.
Bell RP, et al.
Proc. Royal Soc. Lond. B., 303(1472), 1-16 (1968)
1, 3-Dichloroacetone
Vittorio and Pace
Synlett, 2010, 2825-2826 (2010)

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