Home > Compound List > Compound details
63930-17-6 molecular structure
click picture or here to close

1-fluoro-3-[(3-fluorophenyl)disulfanyl]benzene

ChemBase ID: 97105
Molecular Formular: C12H8F2S2
Molecular Mass: 254.3187264
Monoisotopic Mass: 254.0035487
SMILES and InChIs

SMILES:
S(c1cc(ccc1)F)Sc1cc(ccc1)F
Canonical SMILES:
Fc1cccc(c1)SSc1cccc(c1)F
InChI:
InChI=1S/C12H8F2S2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8H
InChIKey:
LFVFHTBHAIVNJQ-UHFFFAOYSA-N

Cite this record

CBID:97105 http://www.chembase.cn/molecule-97105.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-fluoro-3-[(3-fluorophenyl)disulfanyl]benzene
IUPAC Traditional name
1-fluoro-3-[(3-fluorophenyl)disulfanyl]benzene
Synonyms
3,3'-Difluorodiphenyl disulfide
3-Fluorophenyl disulfide
Bis(3-fluorophenyl) disulfide
Bis(3-fluorophenyl)disulphide 97%
双(3-氟苯基)二硫化物
CAS Number
63930-17-6
MDL Number
MFCD01318104
Beilstein Number
2530329
PubChem SID
162083726
PubChem CID
2737794

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2737794 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.859149  LogD (pH = 7.4) 4.859149 
Log P 4.859149  Molar Refractivity 62.893 cm3
Polarizability 25.348398 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
308°C expand Show data source
Flash Point
>110°C(230°F) expand Show data source
Density
1.27 expand Show data source
Refractive Index
1.6185 expand Show data source
1.619 expand Show data source
Storage Warning
Harmful/Stench expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle