Hexachloroacetone

Names

[ CAS No. ]:
116-16-5

[ Name ]:
Hexachloroacetone

[Synonym ]:
Perchloroacetone
EINECS 204-129-5
Hexachloroacetone
Hexachloro-2-propanone
HCA
1,1,1,3,3,3-hexachloropropan-2-one
MFCD00000796
1,1,1,3,3,3-hexachloro-2-propanone

Chemical & Physical Properties

[ Density]:
1.743 g/mL at 25 °C(lit.)

[ Boiling Point ]:
66-70 °C6 mm Hg(lit.)

[ Melting Point ]:
-3 °C

[ Molecular Formula ]:
C₃Cl₆O

[ Molecular Weight ]:
264.75000

[ Flash Point ]:
>230 °F

[ Exact Mass ]:
261.80800

[ PSA ]:
17.07000

[ LogP ]:
3.29590

[ Vapour Pressure ]:
0.284mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.511(lit.)

[ Water Solubility ]:
SLIGHTLY SOLUBLE

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UC2100000

CHEMICAL NAME :: 2-Propanone, 1,1,1,3,3,3-hexachloro-

CAS REGISTRY NUMBER :: 116-16-5

BEILSTEIN REFERENCE NO. :: 1707475

LAST UPDATED :: 199706

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C3-Cl6-O

MOLECULAR WEIGHT :: 264.73

WISWESSER LINE NOTATION :: GXGGVXGGG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 240 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 360 ppm/6H

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - chronic pulmonary edema

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 920 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 :: Mammal - dog

DOSE/DURATION :: 700 mg/kg

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 :: 2980 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Gene conversion and mitotic recombination

TEST SYSTEM :: Yeast - Saccharomyces cerevisiae

DOSE/DURATION :: 10 mg/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 155,53,1985 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.5 mg/m3 JAN 1993

Safety Information

[ Symbol ]:

GHS06, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H317-H331-H411

[ Precautionary Statements ]:
P261-P280-P301 + P312 + P330-P304 + P340 + P312-P403 + P233

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;N:Dangerousfortheenvironment;

[ Risk Phrases ]:
R22;R51/53

[ Safety Phrases ]:
S24/25-S61

[ RIDADR ]:
UN 2661 6.1/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
UC2100000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2914700014

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Acetone
trimethyl(1,1,3,3,3-pentachloroprop-1-en-2-yloxy)silane
1,1,1-Trichloropropanone
Chloroacetone
2,2-bis(trichloromethyl)-5-(p-methoxyphenyl)-1,3,4-oxathiazole
Ethyl propiolate
1,1,3-Trichloroacetone
Dimethyl but-2-ynedioate
2-Propanone,1,1-dichloro-
Citric Acid

DownStream

Methyl trichloroacetate
Chloroform
2-[(2,2,2-trichloroacetyl)amino]acetic acid
Bis(2,2,2-trifluoroethyl) Carbonate
2,2'-Bi-1H-benzimidazole,5,5',6,6'-tetramethyl-
Ethyl trichloroacetate
Pyrrolidine, 1-(trichloroacetyl)- (8CI,9CI)
2,2,2-trichloro-N-propan-2-ylacetamide
1-Bromo-3-chloro-2,4-difluorobenzene
1,1,3,3,3-pentachloro-2-diethoxyphosphoryloxy-prop-1-ene

Customs

[ HS Code ]: 2914700014

[ Summary ]:
2914700014 1,1,1,3,3,3-hexachloropropan-2-one。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:0.0%。MFN tarrif:5.5%。general tariff:30.0%

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