4-Hexylbiphenyl
Basic information
- CAS
59662-31-6- Standard SMILES
CCCCCCc1ccc(-c2ccccc2)cc1- InChIKey
XRPVQXPWEVJKTN-UHFFFAOYSA-N- Molecular formula
- C18H22
- Average molar mass
- 238.4 g/mol
- Monoisotopic mass
- 238.1721507
Names & identifiers
- Preferred name
- 4-Hexylbiphenyl
- IUPAC
- 1-hexyl-4-phenylbenzene
- English name
- 4-Hexylbiphenyl
- Molecular formula
- C18H22
- Molecular weight
- 238.37
Names & synonyms
4-Hexylbiphenyl4-Hexyl-1,1'-biphenyl59662-31-64-n-Hexylbiphenyl1-hexyl-4-phenylbenzene1-hexyl-4-phenyl-benzeneMFCD000095274-hexyl biphenylEINECS 261-845-04-hexyl-1-phenylbenzeneC6BPMaybridge1_001959
Show more names
4-Hexylbiphenyl,99%4-n-Hexylbiphenyl,99%1,1'-Biphenyl, 4-hexyl-
4-n-Hexylbiphenyl, 98%SCHEMBL983507SCHEMBL3019533SCHEMBL4598933SCHEMBL28054660SCHEMBL28241642HMS547B01DTXSID60208348
Database identifiers
- CAS
59662-31-6- PubChem CID
- 108797
- DTXSID
DTXSID60208348- EC Number
- 261-845-0
- Nikkaji
- J21.940A
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 194
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 29 °C · 29 °C
- Boiling point
- 175 · 175-177 °C (3 mmHg)
- Density
- 0 · 0,988 g/cm3
- refractive index
- 1.587 · 1.5870 (estimate)
- Flash point
- 110 °C · >110°C
- CAS DataBase Reference
- 59662 · 59662-31-6(CAS DataBase Reference)
- Safety Statements
- 23 · 23-24/25
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
- safety_code
- 23-24/25
Chemistry & industry
Applications
UsesIntermediates of Liquid Crystals
Upstream & downstream products
Downstream products
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Compound notes
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