10894
六氯-2-丙酮
Wacker Chemie AG, ≥99.0% (GC)
别名:
HCA, 六氯丙酮
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线性分子式:
CCl3COCCl3
化学文摘社编号:
分子量:
264.75
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
204-129-5
Beilstein/REAXYS Number:
1707475
MDL number:
Assay:
≥99.0% (GC)
InChI key
DOJXGHGHTWFZHK-UHFFFAOYSA-N
InChI
1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9
SMILES string
ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl
assay
≥99.0% (GC)
manufacturer/tradename
Wacker Chemie AG
Quality Level
bp
66-70 °C/6 mmHg (lit.)
mp
−6-−2 °C (lit.)
density
1.743 g/mL at 25 °C (lit.)
application(s)
agriculture
environmental
functional group
chloro, ketone
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General description
Hexachloro-2-propanone is a colorless liquid. It is present in herbicide Bromacil formulation. Hexachloro-2-propanone is precursor for the generation and cycloaddition of oxyallyl intermediates. It reverts the Ames strains TA98 and TA100 but not the non-plasmid strains TA1537, TA1535 and TA1538.
Application
Hexachloro-2-propanone (hexachloroacetone) was used in the synthesis of chirally deuterated benzyl chlorides and enol phosphate 2,2-dichloro-1-(trichloromethyl)ethenyl diethyl phosphate. It was also used in obtaining efficient amino acid activation by exploiting the rapid formation of acid chlorides under low temperature and acid/base free conditions.
Other Notes
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - Skin Sens. 1
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 2
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
农药列管产品
危险化学品
此项目有
Derek W Barnett et al.
Journal of labelled compounds & radiopharmaceuticals, 56(1), 6-11 (2013-11-29)
Chirally deuterated benzyl chlorides were prepared using novel, general hexachloroacetone/polymer-supported triphenylphosphine treatment of chirally deuterated benzyl alcohols. Doubly labeled protected tyrosine was obtained in 62% yield with 86% de at the α-carbon and 82% de at the β-carbon. Key in
H Zochlinski et al.
Mutation research, 89(2), 137-144 (1981-06-01)
Hexachloroacetone, CCl3--CO--CCl3, reverts the Ames strains TA98 and TA100 but not the non-plasmid strains TA1537, TA1535 and TA1538. In the absence of solvent, the number of revertant colonies is 5 times the spontaneous reversion rate for TA100 and 10 times
Determination of hexachloroacetone in air.
E Kissa
Analytical chemistry, 55(8), 1222-1225 (1983-07-01)
Baldur Föhlisch et al.
Molecules (Basel, Switzerland), 9(1), 1-10 (2007-11-17)
The enol phosphate 2,2-dichloro-1-(trichloromethyl)ethenyl diethyl phosphate (1), easily available by a Perkow reaction between hexachloroacetone and triethyl phosphite, reacts with sodium trifluoroethoxide/trifluoroethanol in the presence of cyclic 5-membered 1,3-dienes to furnish alpha,alpha,alpha',alpha'-tetrachloro-substituted[3.2.1]bicyclic ketones 2. A [4+3] cycloaddition of a tetrachloro-oxyallyl
E R Nestmann et al.
Environmental mutagenesis, 7(2), 163-170 (1985-01-01)
Reports in the literature describing artifactual results owing to interactions of test materials with solvents are becoming more frequent. The present study was initiated to examine possible interactions of 1,1,3-trichloro-, 1,1,3,3-tetrachloro-, pentachloro- and hexachloroacetones with different solvents, since certain solvent
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