Basic information
- CAS
1542144-59-1- Standard SMILES
O=C(O)c1ccc(-c2ccc(C(=O)O)cc2N=Nc2ccccc2)cc1- InChIKey
CBNSSMKTUIDBLQ-UHFFFAOYSA-N- Molecular formula
- C20H14N2O4
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 346.09535693
Names & identifiers
- Preferred name
- 2-(Phenyldiazenyl)-[1,1'-biphenyl]-4,4'-dicarboxylic acid
- IUPAC
- 4-(4-carboxyphenyl)-3-phenyldiazenylbenzoic acid
- English name
- 2-(phenyldiazenyl)-[1,1'-biphenyl]-4,4'-dicarboxylic acid
- Molecular formula
- C20H14N2O4
- Molecular weight
- 346.34
Names & synonyms
1542144-59-12-(Phenyldiazenyl)-[1,1'-biphenyl]-4,4'-dicarboxylic acid(E)-2-(Phenyldiazenyl)-[1,1'-biphenyl]-4,4'-dicarboxylic acidorb3215997MFCD347058152-phenyldiazenyl-4,4'-biphenyldicarboxylic4-(4-carboxyphenyl)-3-phenylazo-benzoic acidG6926910.14272/CBNSSMKTUIDBLQ-QURGRASLSA-N.1F786314doi:10.14272/CBNSSMKTUIDBLQ-QURGRASLSA-N.12873410-50-3
Show more names
2-(phenylazayl)-[1,1'-biphenyl]-4,4'-dicarboxylic acid2-(2-Phenyldiazenyl)[1,1′-biphenyl]-4,4′-dicarboxylic acid
Database identifiers
- CAS
1542144-59-1- PubChem CID
- 122391836
- Nikkaji
- J3.416.548C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 522
Physicochemical properties
- Melting point
- 350 °C · >350 °C
- Boiling point
- 620.289 · 620.289±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.295 · 1.295±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- RT, protect from light
- pka
- 3.752 · 3.752±0.10(predicted)
- Appearance
- Orange to red Solid
- 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
Chemistry & industry
Suppliers11 total
郑州汇聚化工有限公司13393710386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
山东弗珍化学科技有限公司13146841504 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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