2'-(Phenyldiazenyl)-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid
Basic information
- CAS
1435279-35-8- Standard SMILES
O=C(O)c1ccc(-c2ccc(-c3ccc(C(=O)O)cc3)c(N=Nc3ccccc3)c2)cc1- InChIKey
NVQFHMAGCYDRGO-UHFFFAOYSA-N- Molecular formula
- C26H18N2O4
- Average molar mass
- 422.4 g/mol
Names & identifiers
- Preferred name
- 2'-(Phenyldiazenyl)-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid
- IUPAC
- 4-[4-(4-carboxyphenyl)-3-phenyldiazenylphenyl]benzoic acid
- English name
- 2'-(phenyldiazenyl)-[1,1':4',1"-terphenyl]-4,4"-dicarboxylic acid
- Molecular formula
- C26H18N2O4
- Molecular weight
- 422.43
Names & synonyms
1435279-35-82'-(Phenyldiazenyl)-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid2'-(Phenyldiazenyl)-[1,1':4',1"-terphenyl]-4,4"-dicarboxylic acidSCHEMBL14950707MFCD34473763CS-0170406G7138710.14272/NVQFHMAGCYDRGO-BYYHNAKLSA-N.1doi:10.14272/NVQFHMAGCYDRGO-BYYHNAKLSA-N.1(E)-2'-(phenyldiazenyl)-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid[1,1':4',1''-Terphenyl]-4,4''-dicarboxylic acid, 2'-(2-phenyldiazenyl)-
Database identifiers
- CAS
1435279-35-8- Nikkaji
- J3.691.331B、J3.736.871G、J3.736.872E
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 659
Physicochemical properties
- Boiling point
- 715.7 · 715.7±60.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 3.96 · 3.96±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 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
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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