4-Butoxybiphenyl
Basic information
- CAS
6842-78-0- Standard SMILES
CCCCOc1ccc(-c2ccccc2)cc1- InChIKey
NCJZHZJABHDELF-UHFFFAOYSA-N- Molecular formula
- C16H18O
- Average molar mass
- 226.31 g/mol
- Monoisotopic mass
- 226.13576519
Names & identifiers
- Preferred name
- 4-Butoxybiphenyl
- IUPAC
- 1-butoxy-4-phenylbenzene
- English name
- 4-Butoxybiphenyl
- Molecular formula
- C16H18O
- Molecular weight
- 226.31
Names & synonyms
4-Butoxybiphenylp-n-Butoxybiphenyl6842-78-0Ether, 4-biphenylyl butyl1,1'-Biphenyl, 4-butoxy-DTXSID70290411RefChem:98234DTXCID00241557NCJZHZJABHDELF-UHFFFAOYSA-N4-Butoxy-1,1'-biphenyl1-butoxy-4-phenylbenzene4-N-BUTYLOXYBIPHENYL
Show more names
NSC 684964-Biphenylyl butyl ether1,1'-biphenyl-4-yl butyl ether
4-butoxy-1-phenylbenzeneZINC1695161MFCD004455654-Butoxy-biphenylNSC68496PNBUTOXYBIPHENYL4BUTOXYBIPHENYL1, 4-butoxy-
Database identifiers
- CAS
6842-78-0- PubChem CID
- 249799
- DTXSID
DTXSID70290411- Nikkaji
- J104.637C
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 188
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 70 · 70-72℃
- Boiling point
- 346 ℃ · 346℃
- Density
- 0.991 · 0.991
- Flash point
- 137 ℃ · 137℃
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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