2,2,2-tris-(Chloromethyl)-ethanol structure

2,2,2-tris-(Chloromethyl)-ethanol

3-chloro-2,2-bis(chloromethyl)propan-1-ol

Also Known As: 3-chloro-2,2-bis(chloromethyl)propan-1-ol|Pentaerythritol trichlorohydrin|3-chloro-2,2-bis(chloromethyl)-1-Propanol|PENTAERYTHRITOLTRICHLOROHYDRIN|0075AF|2,2,2-TRIS-(CHLOROMETHYL)-ETHANOL|DS-7575|KS-000004D8|3-CHLORO-2,2-DICHLOROMETHYLPROPANOL|2,2-Bis(chloromethyl)-3-chloro-1-propanol|3-Chloro-2,2-bis(chloromethyl);propan-1-ol|J1.410.899H|J-512175|632-853-5

CAS: 813-99-0
Molecular Formula C5H9Cl3O
Molecular Weight 189.9719 g/mol
LogP 1.4
Topological Polar Surface Area 20.2 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
Rotatable Bonds 4
Exact Mass 189.9719
Monoisotopic Mass 189.9719
Heavy Atoms 9
Complexity 64.0

Chemical Identifiers

CAS Number 813-99-0
SMILES C(C(CCl)(CCl)CCl)O
InChIKey VRWHPVMGJTYPLS-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (1 patents) Heterocyclic Building Blocks (3 patents) Organic Building Blocks (2 patents) Organometallic Reagents (7 patents) Pharmaceutical Intermediates (3 patents) Plastic Additives (3 patents) Polymer Intermediates (2 patents)

Product Overview

2,2,2-tris-(Chloromethyl)-ethanol (CAS 813-99-0), with molecular formula C5H9Cl3O and molecular weight 189.9719 g/mol. IUPAC: 3-chloro-2,2-bis(chloromethyl)propan-1-ol.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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