Basic information
- CAS
14847-56-4- Standard SMILES
Cc1cc(N2N=CCC2=O)ccc1N=Nc1ccc([N+](=O)[O-])cc1O- InChIKey
HVOIQGHJICCLJS-UHFFFAOYSA-N- Molecular formula
- C16H13N5O4
- Average molar mass
- 339.31 g/mol
- Monoisotopic mass
- 339.09675391
Names & identifiers
- Preferred name
- 2-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylphenyl]-4H-pyrazol-3-one
- IUPAC
- 2-[4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylphenyl]-4H-pyrazol-3-one
- English name
- 2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-one
- Molecular formula
- C16H13N5O4
- Molecular weight
- 339.30552
Names & synonyms
Einecs 238-909-11-phenyl-3-methyl-4-(2-hydroxy-5-nitrophenylazo)pyrazol-5-one4-(2-Hydroxy-5-nitrophenylazo)-3-methyl-1-phenyl-2-pyrazolin-5-one2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-one4-({2-hydroxy-5-nitrophenyl}diazenyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one3H-Pyrazol-3-one, 2,4-dihydro-4-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-5-methyl-2-phenyl-
Database identifiers
- CAS
14847-56-4- PubChem CID
- 84667
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 575
Physicochemical properties
- Boiling point
- 589.7 · 589.7±50.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 6.09 · 6.09±0.30(Predicted)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 228 · H228-H412
- Precautionary statements
- 210 · P210-P240-P241-P280-P370+P378-P273-P501
- REACH Registrations
- Active
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
- Danger
- Symbol(GHS)
- GHS02
- Hazard statements
- H228-H412
- REACH Registrations
- Active
- Precautionary statements
- P210-P240-P241-P280-P370+P378-P273-P501
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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