1,1,3-Trichloroacetone

Basic Information

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CAS Number

921-03-9

Molecular Formula

C3H3Cl3O

Molecular Weight

161.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

9-11 ºC

Boiling Point

172°C

Density

1.512

Flash Point

79 ºC

Refractive Index

n20/D 1.491

SMILES

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C(C(=O)C(Cl)Cl)Cl

InChI

InChI=1S/C3H3Cl3O/c4-1-2(7)3(5)6/h3H,1H2

InChIKey

ZWILTCXCTVMANU-UHFFFAOYSA-N

LogP

1.598

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

70.6

Safety Information

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Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H330 Fatal if inhaled
Acute toxicity, inhalation

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

Trichloroacetone
1,1,3-TRICHLORO-2-PROPANONE
1,1,3-TRICHLOROACETONE
TCA
1,1,3-trichloro-2-propanon
1,1,3-TCA
1,1,3-TRICHLOROACETONE, WACKER QUALITY
2-Propanone, 1,1,3-trichloro-
1,1,3-TRICHLOROPROPANONE
1,1,3-trichloropropan-2-one
alpha,alpha',alpha'-Trichloroacetone
8N0B05BDRQ
ZWILTCXCTVMANU-UHFFFAOYSA-N
DSSTox_CID_1680
DSSTox_RID_76280
DSSTox_GSID_21680
ZWILTCXCTVMANU-UHFFFAOYSA-
BCP21421
Tox21_202795
MCU
1,1,3-Trichloro-2-propanone (ACI)
1,1,2-Trichloroacetone
1,1,3-Trichloroacetone
α,α′,α′-Trichloroacetone
1,1,3-Trichloro-2-propanone
SCHEMBL97101
1,1,3-Trichloropropanone
CHEMBL3183118
Q27270768
InChI=1/C3H3Cl3O/c4-1-2(7)3(5)6/h3H,1H2
F8889-2793

MDL Number

MFCD00040500

Customs Code

2914700090

FAQ

What regulatory guidelines apply to 1,1,3-Trichloroacetone (CAS: 921-03-9)?

1,1,3-Trichloroacetone (CAS: 921-03-9) falls under the GHS classification as a flammable liquid and may require specific handling and storage procedures. Under REACH regulations, it is classified as a hazardous substance. The FDA and EPA require documentation of its safe use and storage, including proper labeling, ventilation, and spill control measures.

Are there alternatives to 1,1,3-Trichloroacetone (CAS: 921-03-9) in synthesis?

In synthesis, 1,1,3-Trichloroacetone (CAS: 921-03-9) can be replaced by similar compounds like 1,1,2-Trichloroacetone or other chlorinated acetones. Other alternatives include using acetaldehyde and chlorine gas in a direct chlorination process, though these alternatives may have different reaction conditions and safety considerations.

What is the market or research trend for 1,1,3-Trichloroacetone (CAS: 921-03-9)?

The demand for 1,1,3-Trichloroacetone (CAS: 921-03-9) is primarily driven by its use in the synthesis of various organic compounds. Recent research trends focus on developing more environmentally friendly alternatives and exploring its role in pharmaceutical intermediates. Market trends indicate a steady demand with periodic fluctuations based on economic factors and regulatory changes.

How should waste containing 1,1,3-Trichloroacetone (CAS: 921-03-9) be handled?

Waste containing 1,1,3-Trichloroacetone (CAS: 921-03-9) should be collected in appropriate containers and stored in a well-ventilated area. Incineration is a common method for disposal, but it must be conducted in a controlled environment to avoid the release of harmful gases. Alternatively, professional waste disposal services can handle the waste safely, ensuring compliance with local regulations and environmental protection measures.