(1,1'-Biphenyl)-3,3'-dicarboxylic acid
Basic information
- CAS
612-87-3- Standard SMILES
O=C(O)c1cccc(-c2cccc(C(=O)O)c2)c1- InChIKey
KHZYMPDILLAIQY-UHFFFAOYSA-N- Molecular formula
- C14H10O4
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.0579088
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-3,3'-dicarboxylic acid
- IUPAC
- 3-(3-carboxyphenyl)benzoic acid
- English name
- m,m'-Dicarboxybiphenyl
- Molecular formula
- C14H10O4
- Molecular weight
- 242.23
Names & synonyms
612-87-3[1,1'-Biphenyl]-3,3'-dicarboxylic acidm,m'-Dicarboxybiphenyl3,3'-Bibenzoic acid3,3'-Biphenyldicarboxylic acid2UC22J7S82(1,1'-Biphenyl)-3,3'-dicarboxylic acidDTXSID10210113RefChem:1049179DTXCID10132604BIPHENYL-3,3'-DICARBOXYLIC ACID3-(3-carboxyphenyl)benzoic acid
Show more names
DK7356Eltrombopag Impurity 56Eltrombopag Impurity 54Biphenyl-3,3-dicarboxylicaci
MFCD00845987Eltrombopag Impurity 42BRN 1971768AI3-17978Biphenyl-3,3'-dicarboxylicacid3,3'-Diphenic acid[1,1'-Biphenyl]-3,3'-dicarboxylicacidChemDiv2_000184
Database identifiers
- CAS
612-87-3- PubChem CID
- 96533
- DTXSID
DTXSID10210113- UNII
- 2UC22J7S82
- EC Number
- 195-974-8
- Nikkaji
- J136.473A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Melting point
- 330 · 330-332 °C
- Boiling point
- 524.4 · 524.4±43.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- solubility
- DMSO (Slightly)
- pka
- 3.77 · 3.77±0.10(Predicted)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 2 UC22J7S82 · 2UC22J7S82
- 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
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: > 500mg/kg
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
- Toxicity
- LD50 intraperitoneal in mouse: > 500mg/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- 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
Applications
Usesm,m'-Dicarboxybiphenyl can be used as a ligand in the synthesis of MOF materials (such as InOF-3/4).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…