1,2-Bis(4-fluorophenyl)ethane
Basic information
- CAS
458-76-4- Standard SMILES
Fc1ccc(CCc2ccc(F)cc2)cc1- InChIKey
PYRSXVQXDHTFMW-UHFFFAOYSA-N- Molecular formula
- C14H12F2
- Average molar mass
- 218.24 g/mol
- Monoisotopic mass
- 218.09070671
Overview
See also: 1,1'-(1,2-ethanediyl)bis[4-fluoro-Benzene (annotation moved to).
Names & identifiers
- Preferred name
- 1,2-Bis(4-fluorophenyl)ethane
- IUPAC
- 1-fluoro-4-[2-(4-fluorophenyl)ethyl]benzene
- English name
- 1,2-Bis(4-fluorophenyl)ethane
- Molecular formula
- C14H12F2
- Molecular weight
- 218.24
Names & synonyms
1,2-Bis(4-fluorophenyl)ethane458-76-41-Fluoro-4-[2-(4-fluorophenyl)ethyl]benzeneMFCD00153123Maybridge1_0066951-Fluoro-4-(4-fluorophenethyl)benzenedifluorobibenzylSCHEMBL7437052SCHEMBL8364378HMS560I07DTXSID70341472PYRSXVQXDHTFMW-UHFFFAOYSA-N
Show more names
Benzene, 1,1'-(1,2-ethanediyl)bis[4-fluoro-
1,2-Bis(4-fluorophenyl)ethane97%CCG-47839SBB0955901,2-Bis(4-fluorophenyl)ethane 97%AKOS027378550AS-478821,1'-(Ethane-1,2-diyl)bis(4-fluorobenzene)F16680
Database identifiers
- CAS
458-76-4- PubChem CID
- 573306
- DTXSID
DTXSID70341472- Nikkaji
- J626.683E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 90 · 90
- Boiling point
- 269 · 269
- Hazard Codes
- Xi
- HS Code
- 2903998090 · 2903998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2903998090
- hazard_code
- Xi
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Related reactions
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Compound notes
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