Basic information
- CAS
178313-67-2- Standard SMILES
Cc1cc(C(=O)O)ccc1-c1ccccc1- InChIKey
ITLWSYAJGXPQSO-UHFFFAOYSA-N- Molecular formula
- C14H12O2
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.08372962
Names & identifiers
- Preferred name
- 2-Methyl-[1,1'-biphenyl]-4-carboxylic acid
- IUPAC
- 3-methyl-4-phenylbenzoic acid
- English name
- 3-Methyl-4-phenylbenzoic acid
- Molecular formula
- C14H12O2
- Molecular weight
- 212.24
Names & synonyms
178313-67-22-Methyl-[1,1'-biphenyl]-4-carboxylic acid3-METHYL-4-PHENYLBENZOIC ACIDMFCD11554176[1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-3-methyl-4-phenyl-benzoic acid2-methyl[1,1'-biphenyl]-4-carboxylic acid2-Methylbiphenyl-4-carboxylic acid2-Methyl-[1,1'-biphenyl]-4-carboxylicacidSCHEMBL1213384-phenyl-3-methylbenzoic acidSCHEMBL29707122
Show more names
1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-
DTXSID70615529TQP1593ITLWSYAJGXPQSO-UHFFFAOYSA-N2-Methyl-biphenyl-4-carboxylic AcidAKOS015888515BS-218392-Methyl-[1,1-biphenyl]-4-carboxylicacid2-methyl-1,1'-biphenyl-4-carboxylic acid
Database identifiers
- CAS
178313-67-2- PubChem CID
- 21521810
- DTXSID
DTXSID70615529- Nikkaji
- J914.446C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 146 °C · 146 °C
- Boiling point
- 361.6 · 361.6±21.0 °C(Predicted)
- Density
- 1.156 · 1.156±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.26 · 4.26±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
天水屹垚化学有限公司0938-0938-8493022 15379872136 · [email protected]
ANHUI BYERSEN BIOTECH CO. LTD+86-15385096007 +86-17755058861 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
10 records
Compound notes
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