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Molecule
ID:8687
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂Br₂Cl₂F₂
Molecular Mass
292.7322064
Exact Mass
289.7711858
Charge
0
InChI
InChI=1S/C2Br2Cl2F2/c3-1(5,6)2(4,7)8
InChIKey
JZIAAMATGHHTAT-UHFFFAOYSA-N
Canonic Smiles
ClC(C(Br)(F)F)(Br)Cl
Isomeric Smiles
C(C(F)(Br)F)(Cl)(Br)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2092094
LogD (pH = 7.4)
3.2092094
Log P
3.2092094
Molar Refractivity
37.8254
Polarizability
14.654365
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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Properties
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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From Data Sources
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC3783
Matrix Scientific
004530
Academic Data
PubChem
2773960
Names and Identifiers
IUPAC name
1,2-dibromo-1,1-dichloro-2,2-difluoroethane
Synonyms
1,2-Dibromo-1,1-dichlorodifluoroethane
IUPAC Traditional name
1,2-dibromo-1,1-dichloro-2,2-difluoroethane
Registration numbers
PubChem CID
2773960
PubChem SID
160971994
MDL Number
MFCD00039319
CAS Number
558-57-6
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Properties
Product Information
Purity
97%
Source
Safety Information
MSDS Link
Download link
Source
TSCA Listed
false
Source
Storage Warning
Irritant
Source
Physical Property
>40°C
Source
46°C
Source
138-140°C
Source
117°C
Source
Melting Point
Boiling Point