1,1,2-Trichloroethanol

HCID 119427
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Basic information

CAS
13287-89-3
Standard SMILES
OC(Cl)C(Cl)Cl
InChIKey
NIBKDWIGIKUFKL-UHFFFAOYSA-N
Molecular formula
C2H3Cl3O
Average molar mass
149.4 g/mol
Monoisotopic mass
147.924948

Names & identifiers

Preferred name
1,1,2-Trichloroethanol
IUPAC
1,2,2-trichloroethanol
English name
1,1,2-trichloroethanol
Molecular formula
C2H3Cl3O
Molecular weight
149.4

Names & synonyms

1,1,2-Trichloroethanol13287-89-3RefChem:709081,2,2-trichloroethanol1,2,2-Trichloroethan-1-oltrichloro ethanol2-trichloroethanolEthanol, 1,2,2-trichloro-SCHEMBL134202CHEMBL449666SCHEMBL7101001SCHEMBL11569609
Show more names
1,1,2-trichloroethan-2-ol
DTXSID10927850NIBKDWIGIKUFKL-UHFFFAOYSA-N

Database identifiers

CAS
13287-89-3
PubChem CID
119427
DTXSID
DTXSID10927850
Nikkaji
J536.702F

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
6

Physicochemical properties

Boiling point
186.7 · 186.7±35.0 °C(Predicted)
Density
1.59 · 1.590±0.06 g/cm3(Predicted)
pka
9.91 · 9.91±0.20(Predicted)

Chemistry & industry

Suppliers1 total

CHEMICAL LAND21[email protected]

Related reactions

9 records
New reaction record

Compound notes

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