Basic information
- CAS
58573-87-8- Standard SMILES
CCCCCCCc1ccc(-c2ccc(C(=O)Cl)cc2)cc1- InChIKey
WTVDKDFDBJREGM-UHFFFAOYSA-N- Molecular formula
- C20H23ClO
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 314.143743
Names & identifiers
- Preferred name
- [1,1'-Biphenyl]-4-carbonyl chloride, 4'-heptyl-
- IUPAC
- 4-(4-heptylphenyl)benzoyl chloride
- English name
- p-Heptylbiphenyl-p'-carbonyl chloride
- Molecular formula
- C20H23ClO
- Molecular weight
- 314.85
Names & synonyms
p-Heptylbiphenyl-p'-carbonyl chloride[1,1'-Biphenyl]-4-carbonyl chloride, 4'-heptyl-DTXSID9069269(1,1'-Biphenyl)-4-carbonyl chloride, 4'-heptyl-RefChem:550937DTXCID304242358573-87-8SCHEMBL8132083WTVDKDFDBJREGM-UHFFFAOYSA-N4'-Heptyl-biphenyl-4-carbonyl chloride4'-Heptyl[1,1'-biphenyl]-4-carbonyl chloride4'-Heptyl-1,1'-biphenyl-4-carboxylic acid chloride
Show more names
4'-Heptyl[1,1'-biphenyl]-4-carboxylic acid chloride
Database identifiers
- CAS
58573-87-8- PubChem CID
- 94115
- DTXSID
DTXSID9069269- Nikkaji
- J429.374F
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 312
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Boiling point
- 427.9 · 427.9±34.0 °C(Predicted)
- Density
- 1.061 · 1.061±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-4-carbonyl chloride, 4'-heptyl- (58573-87-8)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4-carbonyl chloride, 4'-heptyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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