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168548

Sigma-Aldrich

1,3-Dichloroacetone

≥95%

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Linear Formula:
ClCH2COCH2Cl
CAS Number:
534-07-6
Molecular Weight:
126.97
EC Number:
208-585-6
MDL number:
MFCD00000937
PubChem Substance ID:
24850245
NACRES:
NA.22

vapor density

4.38 (vs air)

Quality Level

100

vapor pressure

<0.1 mmHg ( 20 °C)

Assay

≥95%

form

solid

bp

173 °C (lit.)

mp

39-41 °C (lit.)

solubility

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

density

1.383 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

ClCC(=O)CCl

InChI

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

InChI key

SUNMBRGCANLOEG-UHFFFAOYSA-N

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This Item
112151167479437778
1,3-Dichloroacetone &#8805;95%

Sigma-Aldrich

168548

1,3-Dichloroacetone

2,4-Dichloroaniline 99%

Sigma-Aldrich

112151

2,4-Dichloroaniline

Chloroacetone 95%

Sigma-Aldrich

167479

Chloroacetone

3,4-Dichloroaniline 98%

Sigma-Aldrich

437778

3,4-Dichloroaniline

form

solid

form

solid

form

-

form

-

bp

173 °C (lit.)

bp

245 °C (lit.)

bp

120 °C (lit.)

bp

272 °C (lit.)

mp

39-41 °C (lit.)

mp

59-62 °C (lit.)

mp

−44.5 °C

mp

69-71 °C (lit.)

solubility

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

solubility

-

solubility

alcohol: miscible, chloroform: miscible, diethyl ether: miscible

solubility

-

density

1.383 g/mL at 25 °C (lit.)

density

-

density

1.162 g/mL at 25 °C (lit.)

density

-

General description

1,3-Dichloroacetone has been identified as a metabolite of 1,3-dichloropropanol by TLC. Kinetics of the reversible hydration of 1,3-dichloroacetone have been studied spectrophotometrically in solutions of water in dioxan and in acetonitrile.

Application

1,3-Dichloroacetone was used as acceptor substrate in the cross-aldol reaction with donor substrates such as acetone, cyclopentanone and cyclohexanone.

Signal Word

Danger

Hazard Classifications

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

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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
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
Han Siean Lee et al.
Biomedicines, 8(10) (2020-10-18)
Relaxin-3 is a highly conserved two-chain neuropeptide that acts through its endogenous receptor the Relaxin Family Peptide-3 (RXFP3) receptor. The ligand/receptor system is known to modulate several physiological processes, with changes in food intake and anxiety-levels the most well studied
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)
S J Rinkus et al.
Analytical biochemistry, 150(2), 379-393 (1985-11-01)
Monohaloacetaldehydes and monohalooxiranes are early oxidative metabolites of several carcinogenic haloaliphatics. Since monohaloacetaldehydes and supposedly monohalooxiranes react with adenines to form fluorescent 1,N6-ethenoadenines, it was hypothesized that in vitro metabolic systems that produce an ethenoadenine-forming metabolite could be assayed quantitatively
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