167479
氯丙酮
95%
别名:
1-氯-2-丙酮, 氯-2-丙酮
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关于此项目
线性分子式:
ClCH2COCH3
化学文摘社编号:
分子量:
92.52
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
201-161-1
Beilstein/REAXYS Number:
605369
MDL number:
Assay:
95%
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.)
functional group
chloro, ketone
storage temp.
2-8°C
InChI key
BULLHNJGPPOUOX-UHFFFAOYSA-N
InChI
1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3
SMILES string
CC(=O)CCl
assay
95%
contains
~0.1% Drapex 39 as stabilizer
impurities
~5% 1,1-dichloroacetone and/or mesityl oxide
Quality Level
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General description
Direct aldol reaction of chloroacetone with of 4-nitrobenzaldehyde catalyzed by L-proline amides has been investigated.
Application
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.
signalword
Danger
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
target_organs
Respiratory system
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
95.0 °F - closed cup
flash_point_c
35 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
新产品
此项目有
L-Proline amide-catalyzed direct asymmetric aldol reaction of aldehydes with chloroacetone.
He L, et al.
Tetrahedron, 62(2), 346-351 (2006)
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
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)
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)
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
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