1,3-Dichloroacetone

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Names

[ CAS No. ]:
534-07-6

[ Name ]:
1,3-Dichloroacetone

[Synonym ]:
2-Propanone, 1,3-dichloro-
1,3-Dichloropropan-2-one
MFCD00000937
1,3-Dichloroacetone
monochloromethyl ketone
1,3-dichloropropanone
EINECS 208-585-6
4,4'-Dimethoxystilbendichlorid
1,3-dichloro acetone
1,3-dichloro-2-propanone

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
173.0±0.0 °C at 760 mmHg

[ Melting Point ]:
43 °C

[ Molecular Formula ]:
C3H4Cl2O

[ Molecular Weight ]:
126.969

[ Flash Point ]:
89.4±0.0 °C

[ Exact Mass ]:
125.963921

[ PSA ]:
17.07000

[ LogP ]:
1.29

[ Vapour density ]:
4.38 (vs air)

[ Vapour Pressure ]:
1.3±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.437

[ Water Solubility ]:
27.9 g/L (20 º C)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UC1430000
CHEMICAL NAME :
2-Propanone, 1,3-dichloro-
CAS REGISTRY NUMBER :
534-07-6
BEILSTEIN REFERENCE NO. :
0605456
LAST UPDATED :
199710
DATA ITEMS CITED :
23
MOLECULAR FORMULA :
C3-H4-Cl2-O
MOLECULAR WEIGHT :
126.97
WISWESSER LINE NOTATION :
G1V1G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
29 mg/m3/2H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18900 ug/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - somnolence (general depressed activity)
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
27 mg/m3/2H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
53 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Sense Organs and Special Senses (Eye) - iritis Behavioral - somnolence (general depressed activity)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
720 mg/kg/90D-C
TOXIC EFFECTS :
Behavioral - fluid intake Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
37500 ug/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Micronucleus test

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
2 umol/L
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 9,401,1987 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.05 mg/m3;Skin JAN 1993

Safety Information

[ Symbol ]:

GHS05, GHS06, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H300 + H310 + H330-H314-H341

[ Precautionary Statements ]:
P260-P264-P280-P284-P301 + P310-P302 + P350

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
T+:Verytoxic;

[ Risk Phrases ]:
R24;R26/28;R36/37/38;R68

[ Safety Phrases ]:
S26-S36/37/39-S45-S28A-S1

[ RIDADR ]:
UN 3286 3/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
UC1430000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
29147090

Precursor & DownStream

Precursor

  • 1,3-Dibromo-2-propanone
  • Chloroacetone
  • Oxalyl chloride
  • Quininic acid
  • (Trimethylsilyl)diazomethane
  • N,N-Dimethylformamide
  • Chloroiodomethane
  • ethyl chloroacetate
  • Isopropyl ether
  • 3-chloro-1-diazonioprop-1-en-2-olate

DownStream

  • 2-(chloromethyl)imidazo[1,2-a]pyrimidine
  • 4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole
  • 4-Chloromethyl-2-phenyl-oxazole
  • 3-Chloro-2-(chloromethyl)-4-methylquinoline hydrochloride
  • 2-(Chloromethyl)imidazo[1,2-a]pyridine
  • 4-Chloromethyl-thiazole
  • 4-(Chloromethyl)-2-isopropylthiazole
  • 4-(Chloromethyl)-2-phenyl-1,3-thiazole
  • 4-(Chloromethyl)-2-(3-methylphenyl)-1,3-thiazole
  • 1,3-Dichloro-2-propanol

Customs

[ HS Code ]: 2914700090

[ Summary ]:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

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Related Compounds

  • 1,3-dichloroacetone-d4
  • 1,3-Dibromo-1,3-dichloroacetone
  • 1,3-Dichloroacetone trimethylene ketal
  • 1,3-DICHLOROACETONE METHOXYCARBONYLHYDRAZONE
  • 1,3-dibenzyl-2-phenyl-1,3-diazinane
  • 1,3-bis(phenylmethoxy)propan-2-yloxymethylbenzene
  • 3-Amino-1-(6-chloro-5-methylpyridin-3-yl)cyclobutane-1-carboxylic acid
  • 2-Amino-2-[1-(4-methyloxan-4-yl)cyclopropyl]acetic acid
  • 4-Amino-3-(2-bromo-5-cyanophenyl)butanoic acid
  • 3-Amino-1-(5-bromofuran-2-yl)cyclobutane-1-carboxylic acid
  • 2-Amino-2-[1-(difluoromethyl)cyclopropyl]acetic acid
  • 3-amino-1-(3-bromo-1-methyl-1H-pyrazol-5-yl)cyclobutane-1-carboxylic acid
  • (1S)-2,2,2-trifluoro-1-(1H-indol-2-yl)ethan-1-ol
  • 2-Amino-3-(2-fluoro-4-methoxyphenyl)-3-methylbutanoic acid
  • 3-{1-[(tert-butoxy)carbonyl]piperidin-2-yl}-1-methyl-1H-pyrazole-5-carboxylic acid
  • 2-Amino-3-(5-chlorofuran-2-yl)-3-methylbutanoic acid