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Sigma-Aldrich

氯丙酮

95%

同義詞:

1-氯-2-丙酮, 氯-2-丙酮

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About This Item

線性公式:
ClCH2COCH3
CAS號碼:
78-95-5
分子量：:
92.52
Beilstein:
605369
EC號碼:
201-161-1
MDL號碼:
MFCD00000936
分類程式碼代碼:
12352100
PubChem物質ID:
24850211
NACRES:
NA.22
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品質等級

100

化驗

95%

包含

~0.1% Drapex 39 as stabilizer

雜質

~5% 1,1-dichloroacetone and/or mesityl oxide

折射率

n20/D 1.432 (lit.)

bp

120 °C (lit.)

mp

−44.5 °C

溶解度

alcohol: miscible
chloroform: miscible
diethyl ether: miscible

密度

1.162 g/mL at 25 °C (lit.)

官能基

chloro
ketone

儲存溫度

2-8°C

SMILES 字串

CC(=O)CCl

InChI

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

InChI 密鑰

BULLHNJGPPOUOX-UHFFFAOYSA-N

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相關類別

一般說明

Direct aldol reaction of chloroacetone with of 4-nitrobenzaldehyde catalyzed by L-proline amides has been investigated[1].

應用

Chloroacetone was used in the synthesis of double-chain nonionic surfactants with an acid decomposition function via acid-catalyzed condensation with fatty alcohols (octyl, decyl and dodecyl)[2]. It was also used in the synthesis of meso-tetramethyl tetrakis-(4-phenoxy acetone)calix[4]pyrrole[3].

訊號詞

Danger

危險分類

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

標靶器官

Respiratory system

儲存類別代碼

3 - Flammable liquids

水污染物質分類（WGK）

WGK 3

閃點（°F）

95.0 °F - closed cup

閃點（°C）

35 °C - closed cup

個人防護裝備

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

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分析證明 (COA)

Lot/Batch Number
BCCM3753
BCCJ0784
BCCF6684
BCCB9591
BCBZ4632

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Angela F Danil de Namor et al.
Physical chemistry chemical physics : PCCP, 12(3), 753-760 (2010-01-13)
Following the synthesis and characterization of meso-tetramethyl tetrakis (4-phenoxy acetone) calix[4]pyrrole, 1, the solution properties of this receptor in various solvents were investigated. Particular emphasis is placed on the selection of the solvent in assessing thermodynamic selectivity in ion complexation
L-Proline amide-catalyzed direct asymmetric aldol reaction of aldehydes with chloroacetone.
He L, et al.
Tetrahedron, 62(2), 346-351 (2006)
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
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
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)
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