4,4'-Dimethyl-[1,1'-biphenyl]-2-carboxylic acid
Basic information
- CAS
537712-98-4- Standard SMILES
Cc1ccc(-c2ccc(C)cc2C(=O)O)cc1- InChIKey
XQGAYWVPAVKFBR-UHFFFAOYSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Names & identifiers
- Preferred name
- 4,4'-Dimethyl-[1,1'-biphenyl]-2-carboxylic acid
- IUPAC
- 5-methyl-2-(4-methylphenyl)benzoic acid
- English name
- [1,1'-Biphenyl]-2-carboxylic acid, 4,4'-diMethyl-
- Molecular formula
- C15H14O2
- Molecular weight
- 226.27
Names & synonyms
537712-98-44,4'-Dimethyl-[1,1'-biphenyl]-2-carboxylic acid5-methyl-2-(4-methylphenyl)benzoic acidMFCD18318953[1,1'-Biphenyl]-2-carboxylic acid, 4,4'-dimethyl-2-(4-METHYLPHENYL)-5-METHYLBENZOIC ACIDSCHEMBL6495696DTXSID90590920XQGAYWVPAVKFBR-UHFFFAOYSA-N5-methyl-2-(p-tolyl)benzoic acidAKOS017552613s11927
Show more names
DS-18920SY107262CS-01530724,4'-dimethyl-1,1'-biphenyl-2-carboxylic acid4,4'-Dimethyl-[1,1'-biphenyl]-2-carboxylicacid4,4'-Dimethyl[1,1'-biphenyl]-2-carboxylic acidF516465
Database identifiers
- CAS
537712-98-4- PubChem CID
- 17774366
- DTXSID
DTXSID90590920- Nikkaji
- J3.240.650E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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