4-Isopropyl-[1,1'-biphenyl]-2-carboxylic acid
Basic information
- CAS
84392-25-6- Standard SMILES
CC(C)c1ccc(-c2ccccc2C(=O)O)cc1- InChIKey
ZTBDDZNRMUSDEN-UHFFFAOYSA-N- Molecular formula
- C16H16O2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.11502975
Names & identifiers
- Preferred name
- 4-Isopropyl-[1,1'-biphenyl]-2-carboxylic acid
- IUPAC
- 2-(4-propan-2-ylphenyl)benzoic acid
- English name
- 4'-Isopropylbiphenyl-2-carboxylic acid
- Molecular formula
- C16H16O2
- Molecular weight
- 240.3
Names & synonyms
4-Isopropyl-[1,1'-biphenyl]-2-carboxylic acid4'-ISOPROPYLBIPHENYL-2-CARBOXYLIC ACIDMFCD118488344'-ISOPROPYL-[1,1'-BIPHENYL]-2-CARBOXYLIC ACID2-(4-isopropylphenyl)benzoic acidSCHEMBL4741406ZTBDDZNRMUSDEN-UHFFFAOYSA-NDTXSID501225721DB-076030CS-03604294-Isopropyl-[1,1'-biphenyl]-2-carboxylicacidG80516
Show more names
4'-(1-Methylethyl)[1,1'-biphenyl]-2-carboxylic acid4'-(1-Methylethyl)[1,1'-biphenyl]-2-carboxylic acid
F7521434'-(Propan-2-yl)[1,1'-biphenyl]-2-carboxylic acid4a(2)-(1-Methylethyl)[1,1a(2)-biphenyl]-2-carboxylic acid
Database identifiers
- CAS
84392-25-6- PubChem CID
- 13629285
- DTXSID
DTXSID501225721
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 367.3 · 367.3±21.0 °C(Predicted)
- Density
- 1.105 · 1.105±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.89 · 3.89±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
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Compound notes
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