Basic information
- CAS
4645-07-2- Standard SMILES
COc1ccccc1N=Nc1c(C)[nH]n(-c2ccccc2)c1=O- InChIKey
DXOYLNFZQAGRCF-UHFFFAOYSA-N- Molecular formula
- C17H16N4O2
- Average molar mass
- 308.33 g/mol
- Monoisotopic mass
- 308.12732577
Names & identifiers
- Preferred name
- 4-[(2-Methoxy-phenyl)-hydrazono]-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
- IUPAC
- 4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
- English name
- 2,4-dihydro-4-[(2-methoxyphenyl)azo]-5-methyl-2-phenyl-3H-Pyrazol-3-one
- Molecular formula
- C17H16N4O2
- Molecular weight
- 308.33
Names & synonyms
4-[(2-Methoxy-phenyl)-hydrazono]-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-oneMLS001210647CHEMBL3145045SFCPVHICGDDQCZ-MNDPQUGUSA-NDTXSID401024665HMS2830D19STK078973AKOS000486344AKOS000582386890719-42-3SMR000514104CI 127450
Show more names
Solvent Yellow 724-[(2-Methoxyphenyl)azo]-5-methyl-2-phenyl-2H-pyrazol-3(4H)-one2,4-Dihydro-4-[(2-methoxyphenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-one4-((2-METHOXYPHENYL)DIAZENYL)-5-METHYL-2-PHENYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE3H-Pyrazol-3-one, 2,4-dihydro-4-[2-(2-m ethoxyphenyl)diazenyl]-5-methyl-2-p henyl-TIANFU-CHEM 2,4-dihydro-4-[(2-methoxyphenyl)azo]-5-methyl-2-phenyl-3H-Pyrazol-3-one
C.I. 127450Q272906681-Phenyl-3-methyl-4-(2-methoxyphenylazo)-5-pyrazolone4-((2-Methoxyphenyl)diazenyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol(4Z)-3-Methyl-1-phenyl-1H-pyrazole-4,5-dione 4-[(2-methoxyphenyl)hydrazone] #4-[2-(2-methoxyphenyl)hydrazinylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one(4E)-4-[2-(2-methoxyphenyl)hydrazinylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 497
Experimental & physicochemical properties
Solubility<0.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 166 · 166-167 ºC
- Boiling point
- 505.3 · 505.3±45.0 °C(Predicted)
- Density
- 1.24 · 1.24
- pka
- 1.35 · 1.35±0.70(Predicted)
- FDA UNII
- 4 AYW7ZJ90 · U4AYW7ZJ90
- EPA Substance Registry System
- 72 · C.I. Solvent Yellow 72 (4645-07-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…