Hexachloroacetone

Modify Date: 2026-07-01 20:13:09

Hexachloroacetone Structure
Hexachloroacetone structure
 Common Name Hexachloroacetone
CAS Number 116-16-5 Molecular Weight 264.75000
Density 1.743 g/mL at 25 °C(lit.) Boiling Point 66-70 °C6 mm Hg(lit.)
Molecular Formula C3Cl6O Melting Point -3 °C
MSDS Chinese USA Flash Point >230 °F
Symbol GHS06 GHS09
GHS06, GHS09		 Signal Word Danger

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name hexachloroacetone
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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.)
InChIKey DOJXGHGHTWFZHK-UHFFFAOYSA-N
SMILES O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
Water Solubility SLIGHTLY SOLUBLE

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS06 GHS09
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

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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%

 Articles28

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Hydroxycarboxylic acid receptors are essential for breast cancer cells to control their lipid/fatty acid metabolism.

Oncotarget 6 , 19706-20, (2015)

Cancer cells exhibit characteristic changes in their metabolism with efforts being made to address them therapeutically. However, targeting metabolic enzymes as such is a major challenge due to their ...

Coumarins as new matrices for matrix-assisted laser-desorption/ionization Fourier transform ion cyclotron resonance mass spectrometric analysis of hydrophobic compounds.

Anal. Chim. Acta 882 , 49-57, (2015)

Hydrophobic compounds with hydroxyl, aldehyde or ketone groups are generally difficult to detect using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS), because these compounds...

Integrated metabolomic and proteomic analysis reveals systemic responses of Rubrivivax benzoatilyticus JA2 to aniline stress.

J. Proteome Res. 14(2) , 711-27, (2015)

Aromatic amines are widely distributed in the environment and are major environmental pollutants. Although degradation of aromatic amines is well studied in bacteria, physiological adaptations and str...

 HexachloroacetoneBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: qHTS assay to identify small molecule antagonists of the peroxisome proliferator-acti...
Source: 824
Target: N/A
External Id: PPARGV841
Name: qHTS assay to identify small molecule agonists of the TGF-beta/Smad signaling pathway...
Source: 824
Target: N/A
External Id: TGF788
Name: qHTS assay to identify small molecule antagonists of the TGF-beta/Smad signaling path...
Source: 824
Target: N/A
External Id: TGF602
Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell fr...
Source: 824
Target: N/A
External Id: SPEC167MG
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: qHTS assay to identify small molecule agonists of the peroxisome proliferator-activat...
Source: 824
Target: N/A
External Id: PPARDV813
Name: qHTS assay to test for compound auto fluorescence at 590 nm (red) in HEK293 cell free...
Source: 824
Target: N/A
External Id: SPEC167MR
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells
Source: 824
Target: N/A
External Id: SPEC167CG
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

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

 Hexachloroacetone | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: How is the water solubility of hexachloroacetone?
A: Water solubility of hexachloroacetone: SLIGHTLY SOLUBLE.
Q: What is the safety information for hexachloroacetone?
A: Safety information for hexachloroacetone: S24/25-S61.
Q: What is the SMILES notation of hexachloroacetone?
A: SMILES notation of hexachloroacetone is O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl.
Q: What is the CAS number of hexachloroacetone?
A: CAS number of hexachloroacetone is 116-16-5.
Q: What English synonyms does hexachloroacetone have?
A: English synonyms of hexachloroacetone: 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.
Q: What is the melting point of hexachloroacetone?
A: Melting point of hexachloroacetone is -3 °C.
Q: What is the English name of hexachloroacetone?
A: The English name of hexachloroacetone is hexachloroacetone.
Q: What is the boiling point of hexachloroacetone?
A: Boiling point of hexachloroacetone is 66-70 °C6 mm Hg(lit.).
Q: What are the upstream materials of hexachloroacetone?
A: Related upstream materials(CAS) of hexachloroacetone: 67-64-1;87651-34-1;918-00-3;78-95-5;73501-03-8;623-47-2;921-03-9;762-42-5;513-88-2;77-92-9.
Q: What are the downstream products of hexachloroacetone?
A: Related downstream products(CAS) of hexachloroacetone: 598-99-2;67-66-3;15166-50-4;1513-87-7;14468-52-1;515-84-4;20266-02-8;23144-67-4;201849-13-0;52925-84-5.

 Hexachloroacetonefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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Chemsrc provides Hexachloroacetone(CAS#:116-16-5) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of Hexachloroacetone are included as well.>> amp version: Hexachloroacetone

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