2'-Amino-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid
Basic information
- CAS
1312703-28-8- Standard SMILES
Nc1cc(-c2ccc(C(=O)O)cc2)ccc1-c1ccc(C(=O)O)cc1- InChIKey
IONBHNFWEFNUEE-UHFFFAOYSA-N- Molecular formula
- C20H15NO4
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.10010796
Names & identifiers
- Preferred name
- 2'-Amino-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid
- IUPAC
- 4-[3-amino-4-(4-carboxyphenyl)phenyl]benzoic acid
- English name
- 2'-amino-1,1':4,1''-terphenyl-4,4''-dicarboxylic acid
- Molecular formula
- C20H15NO4
- Molecular weight
- 333.34
Names & synonyms
1312703-28-82'-amino-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid2'-amino-1,1'4-[3-amino-4-(4-carboxyphenyl)phenyl]benzoic acidMFCD30489603orb3215168SCHEMBL131716082'-amino-1,1':4,1''-terphenyl-4,4''-dicarboxylic acidBS-51930DB-134409CS-0110762E81348
Show more names
DK76642′-amino-terphenyl-4,4″-dicarboxylic acid2'-amino-[1,1':4',1''-tribiphenyl]-4,4''-dimacetic acid1,1':4',1''-Terphenyl]-4,4''-dicarboxylic acid, 2'-amino-2 '- amino 1,1': 4,1 '- terphenyl-4,4' - dicarboxylic acid
10.14272/IONBHNFWEFNUEE-UHFFFAOYSA-N.1F617471doi:10.14272/IONBHNFWEFNUEE-UHFFFAOYSA-N.12'-amino-[1,1':4',1''-terphenyl]-4,4''-dicarboxylicacid2 inverted exclamation marka-amino-terphenyl-4,4 inverted exclamation marka -dicarboxylic acid
Database identifiers
- CAS
1312703-28-8- PubChem CID
- 89027256
- Nikkaji
- J3.072.734G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Melting point
- 349 °C · 349 °C (decomp)
- Boiling point
- 632.5 · 632.5±55.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- storage temp.
- RT, protect from light
- pka
- 4 · 4.00±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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-P280-P301+P312-P302+P352-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…