3-Chloro-2,2-bis(chloromethyl)-1-propanol

Basic Information

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CAS Number

813-99-0

Molecular Formula

C5H9Cl3O

Molecular Weight

191.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

274.39°C (rough estimate)

Density

1.4096 (rough estimate)

Refractive Index

1.5300 (estimate)

SMILES

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OCC(CCl)(CCl)CCl

InChI

InChI=1S/C5H9Cl3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2

InChIKey

VRWHPVMGJTYPLS-UHFFFAOYSA-N

LogP

1.6815

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

64.3

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

1-Propanol,3-chloro-2,2-bis(chloromethyl)-
3-Chloro-2,2-bis(chloromethyl)propan-1-ol
PENTAERYTHRITOL TRICHLOROHYDRIN
3-CHLORO-2,2-DICHLOROMETHYLPROPANOL
pentaerithrityl trichlorohydrin
Pentaerythrityl trichlorohydrin
Pentaerythrityltrichlorid
3-chloro-2,2-bis(chloromethyl)-1-Propanol
AK170376
NSC524090
C5H9Cl3O
NSC405661
0075AF
FCH839328
SB11396
2,2,2-TRIS-(CHLOROMETHYL)-ETHANOL
2,2-Bis(chloromethyl)-3-chloro-1-propanol
3-Chloro-2,2-bis(chloromethyl);propan-1-ol
J
3-chloro-2,2-bis(chloromethyl)propan-1-ol

MDL Number

MFCD00087386

Customs Code

2905590090

FAQ

What are the physical and chemical properties of 3-Chloro-2,2-bis(chloromethyl)-1-propanol (CAS: 813-99-0)?

3-Chloro-2,2-bis(chloromethyl)-1-propanol (CAS: 813-99-0) is a colorless, crystalline solid with a molecular weight of approximately 215.98 g/mol. It has a low solubility in water but is more soluble in organic solvents such as methanol and ethanol. This compound is highly reactive due to the presence of multiple chlorine atoms and methyl groups, which can engage in nucleophilic substitution reactions and condensation reactions.

How is 3-Chloro-2,2-bis(chloromethyl)-1-propanol (CAS: 813-99-0) typically synthesized?

3-Chloro-2,2-bis(chloromethyl)-1-propanol (CAS: 813-99-0) is typically synthesized through the reaction of polyvinyl chloride with hydrochloric acid in the presence of a suitable catalyst, such as aluminum chloride. The process involves the chloromethylation of vinyl chloride monomers followed by ring closure to form the desired 3-chloro-2,2-bis(chloromethyl)-1-propanol. The yield can be up to 90%, depending on the reaction conditions and catalyst selection.

What industries use 3-Chloro-2,2-bis(chloromethyl)-1-propanol (CAS: 813-99-0)?

3-Chloro-2,2-bis(chloromethyl)-1-propanol (CAS: 813-99-0) is primarily used in the pharmaceutical industry for the synthesis of certain drugs, particularly those involving organochlorine compounds. It is also used in the polymer industry as a monomer for the production of special plastics. Additionally, it finds applications in the manufacturing of sensors and electronic devices, where its chemical properties are utilized.

What precautions should be taken when handling 3-Chloro-2,2-bis(chloromethyl)-1-propanol (CAS: 813-99-0)?

When handling 3-Chloro-2,2-bis(chloromethyl)-1-propanol (CAS: 813-99-0), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a respirator. This compound is highly reactive and can cause irritation to the skin and eyes. It should be stored in a dry, well-ventilated area, away from heat sources and incompatible materials. In case of a spill, use appropriate spill kits and follow safety data sheet (SDS) guidelines for disposal. Fume hoods should be used during handling to minimize inhalation risks.