2,2,2-Trichloro-1,1-ethanediol

Basic Information

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CAS Number

302-17-0

Molecular Formula

C2H3Cl3O2

Molecular Weight

165.4 g/mol

Chemical Classification

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

57 ºC

Boiling Point

97 ºC

Water Solubility

660 g/100 mL

Flash Point

16 °C

Refractive Index

1.4603 (estimate)

SMILES

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

InChI

InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H

InChIKey

RNFNDJAIBTYOQL-UHFFFAOYSA-N

LogP

0.6673000000000002

pKa

10(at 25℃)

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

56.4

Safety Information

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GHS Hazard Pictograms

H301

H315

H319

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1(b) Class 6.1(b)

Stability

Stable, but may be air or light sensitive. Incompatible with alcohols, cyanides, iodine, strong bases, carbonates.

Sensitiveness

Sensitive to humidity, light, and air

Synonyms & References

English

Chloral hydrate
1,1,1-trichloro-2,2-ethanediol
2,2,2-Trichloro-1,1-ethanediol
aquachloral
bi 3411
chloraldurat
dormal
Escre
felsules
hydral
kessodrate
lorinal
Noctec
nortec
nycoton
nycton
phaldrone
rectules
sk-chloral hydrate
somni sed
somnos
sontec
trawotox
trichloroacetaldehyde hydrate
Trichloroacetaldehyde Monohydrate
TCA
2,2,2-Trichloroethane-1,1-diol
Chloral hydrate solution
Trichloroacetaldehyd
TCA (Chloral hydrate)
1,1-dihydroxy-2,2,2-trichloroethane

MDL Number

MFCD00044479

Customs Code

2913000010

FAQ

What is 2,2,2-Trichloro-1,1-ethanediol (CAS: 302-17-0)?

2,2,2-Trichloro-1,1-ethanediol is an organic compound with the chemical formula C2H2Cl3O2. It is a colorless liquid with a slightly chlorinated odor, known for its high reactivity and ability to act as a chlorinating agent. This compound is commonly used in chemical synthesis due to its versatile functional groups and stability under controlled conditions.

What are the main uses of 2,2,2-Trichloro-1,1-ethanediol (CAS: 302-17-0)?

2,2,2-Trichloro-1,1-ethanediol is primarily used in pharmaceuticals for the synthesis of various drugs and intermediates. It also finds applications in industrial processes, particularly in the production of pesticides and flame retardants. In research, it serves as a valuable reagent for organic reactions and functional group modifications.

Is 2,2,2-Trichloro-1,1-ethanediol (CAS: 302-17-0) safe?

2,2,2-Trichloro-1,1-ethanediol is considered toxic and requires careful handling. It can cause skin and eye irritation, and prolonged exposure may lead to more severe health effects. Safety standards recommend using appropriate personal protective equipment (PPE) and ensuring good ventilation when working with this compound.

How should 2,2,2-Trichloro-1,1-ethanediol (CAS: 302-17-0) be stored?

2,2,2-Trichloro-1,1-ethanediol should be stored in a cool, dry, and well-ventilated area away from light. It is recommended to keep it in a sealed container to prevent evaporation and contamination. Storage at temperatures below 25°C is ideal, and it should be kept in a fume hood to minimize exposure risks.