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2,2,2-Trichloro-1-phenylethanol

CAT: 1266-JH198785Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH198785Size:1 Each
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CAS Number
2000-43-3
HS Code
2906299090
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C8H7Cl3O
Molecular Weight
225.5
Product Name Synonym
Efiran 99
Physical Properties
Dark red-purple
Safety Statements
S26; S36
Density
1.732g/cm3
Flash Point
93-96°C/0.8mm
Melting Point
228-230oC dec.

Chemical Information

2,2,2-Trichloro-1-phenylethanol
CAS Number2000-43-3
PubChem CID16150
IUPAC Name2,2,2-trichloro-1-phenylethanol
Molecular FormulaC8H7Cl3O
Molecular Weight225.5
XLogP2.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity138
SMILES
C1=CC=C(C=C1)C(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C8H7Cl3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H
InChIKey
ABFRBTDJEKZSRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2,2-Trichloro-1-phenylethanol
CAS: 2000-43-3
CID: 16150
Formula: C8H7Cl3O
MW: 225.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.5
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass223.956248
Monoisotopic Mass223.956248
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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