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Merck
모든 사진(2)

문서

167479

Sigma-Aldrich

Chloroacetone

95%

동의어(들):

1-Chloropropan-2-one, Chloro-2-propanone

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모든 사진(2)

About This Item

Linear Formula:
ClCH2COCH3
CAS Number:
78-95-5
Molecular Weight:
92.52
Beilstein:
605369
EC Number:
201-161-1
MDL number:
MFCD00000936
UNSPSC 코드:
12352100
PubChem Substance ID:
24850211
NACRES:
NA.22

분석

95%

포함

~0.1% Drapex 39 as stabilizer

불순물

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

refractive index

n20/D 1.432 (lit.)

bp

120 °C (lit.)

mp

−44.5 °C

solubility

alcohol: miscible
chloroform: miscible
diethyl ether: miscible

density

1.162 g/mL at 25 °C (lit.)

저장 온도

2-8°C

SMILES string

CC(=O)CCl

InChI

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

InChI key

BULLHNJGPPOUOX-UHFFFAOYSA-N

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관련 카테고리

일반 설명

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

애플리케이션

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). It was also used in the synthesis of meso-tetramethyl tetrakis-(4-phenoxy acetone)calix[4]pyrrole.

신호어

Danger

유해 및 위험 성명서

H226,H301,H310 + H330,H314,H335,H410

Hazard Classifications

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

표적 기관

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point (°F)

95.0 °F - closed cup

Flash Point (°C)

35 °C - closed cup

개인 보호 장비

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

시험 성적서(COA)

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문서 라이브러리 방문

이미 열람한 고객

Slide 1 of 3

1 of 3

Benzyloxyacetone 90%

Sigma-Aldrich

489174

Benzyloxyacetone

1-Bromopinacolone ≥97%

Sigma-Aldrich

414131

1-Bromopinacolone

4-(Dimethylamino)benzaldehyde for synthesis

Sigma-Aldrich

8.03057

4-(Dimethylamino)benzaldehyde

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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