1,1,3-Trichloroacetone

Names

[ CAS No. ]:
921-03-9

[ Name ]:
1,1,3-Trichloroacetone

[Synonym ]:
1,3,3-trichloroacetone
2-Propanone, 1,1,3-trichloro-
1,1,3-trichloropropan-2-one
1,1,3-Trichloroacetone
EINECS 213-063-6
MFCD00040500

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
170.7±25.0 °C at 760 mmHg

[ Melting Point ]:
9-11 °C(lit.)

[ Molecular Formula ]:
C₃H₃Cl₃O

[ Molecular Weight ]:
161.414

[ Flash Point ]:
79.4±0.0 °C

[ Exact Mass ]:
159.924942

[ PSA ]:
17.07000

[ LogP ]:
2.51

[ Vapour Pressure ]:
1.4±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.468

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UC3840000

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

CAS REGISTRY NUMBER :: 921-03-9

BEILSTEIN REFERENCE NO. :: 1746647

LAST UPDATED :: 199612

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C3-H3-Cl3-O

MOLECULAR WEIGHT :: 161.41

WISWESSER LINE NOTATION :: GYGVYGG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 390 mg/m3/2H

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 - mouse

DOSE/DURATION :: 360 mg/m3/2H

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

TYPE OF TEST :: Micronucleus test

MUTATION DATA

TYPE OF TEST :: Cytogenetic analysis

TEST SYSTEM :: Rodent - hamster Ovary

DOSE/DURATION :: 1500 ug/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 206,431,1988

Safety Information

[ Symbol ]:

GHS05, GHS06, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301 + H311-H314-H330-H410

[ Precautionary Statements ]:
P260-P273-P280-P284-P301 + P310-P305 + P351 + P338

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

[ Hazard Codes ]:
T+: Very toxic;N: Dangerous for the environment;

[ Risk Phrases ]:
R25;R26;R34;R50/53

[ Safety Phrases ]:
S26-S36/37/39-S45-S60-S61

[ RIDADR ]:
UN 3390 6.1/PG 1

[ WGK Germany ]:
3

[ RTECS ]:
UC3840000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2914700090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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%

Articles

Determination of 14 haloketones in treated water using solid-phase microextraction and gas chromatography-mass spectrometry.

J. Chromatogr. A. 1407 , 208-15, (2015)

Haloketones (HKs) are unregulated volatile disinfection by-products that show some potential risk even at low concentrations. While EPA Method 551.1 involves conventional liquid-liquid extraction and ...

Carcinogenic activity associated with halogenated acetones and acroleins in the mouse skin assay.

Cancer Lett. 48(3) , 197-203, (1989)

Several chlorinated acetones have been identified in drinking water and these, as well as a number of chlorinated acroleins, are produced by chlorination of humic acid solutions. Many of these chlorin...

Activity of 1,1,1- and 1,1,3-trichloroacetones in a chromosomal aberration assay in CHO cells and the micronucleus and spermhead abnormality assays in mice.

Mutat. Res. 206(4) , 431-8, (1988)

1,1,1- and 1,1,3-trichloroacetones (TCA) result from the disinfection of municipal water supplies with chlorine, and are direct-acting mutagens in the Ames/Salmonella assay. The objective of this stud...