Basic information
- CAS
4702-90-3- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1=CC1C(=O)N(c2ccccc2)N=C1C- InChIKey
QPAPQRFSPBUJAU-UHFFFAOYSA-N- Molecular formula
- C21H18N4O2
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.14297583
Overview
See also: C.I. Solvent Yellow 93 (annotation moved to).
Names & identifiers
- Preferred name
- 5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]-2-phenylpyrazol-3-one
- IUPAC
- 5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]-2-phenylpyrazol-3-one
- English name
- Solvent Yellow 93
- Molecular formula
- C21H18N4O2
- Molecular weight
- 358.39
Names & synonyms
4702-90-3SolventYellow935-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]-2-phenylpyrazol-3-oneSCHEMBL305089orb1307160QPAPQRFSPBUJAU-UHFFFAOYSA-NC.I.Solvent Yellow 93 (C.I.48160)NS000455025-Methyl-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-2-phenyl-2,4-dihydro-3H-pyrazol-3-oneS.Y93C.I. 48160Oplas Yellow 140
Show more names
Polymer Yellow GNKayaset Yellow GNSolvent Yellow 93Solvent Yellow 3Gtransparent yellow 3gThermoplast Yellow 104Solvent Yellow 93 4702-90-3
Database identifiers
- CAS
4702-90-3- PubChem CID
- 107578
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 712
Physicochemical properties
- Melting point
- 180 °C · 180 °C
- Boiling point
- 556.2 · 556.2±60.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 1.73 · 1.73±0.70(Predicted)
- form
- Solid
- color
- Yellow to orange
- Water Solubility
- 4.7 μg/L · 4.7μg/L at 23℃
- LogP
- 5.02 at · 5.02 at 23℃
- CAS DataBase Reference
- 4702 · 4702-90-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl- (4702-90-3)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 361 · H361-H413
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501
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)
- GHS08
- Hazard statements
- H361-H413
- REACH Registrations
- Active
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Applications
UsesSolvent Yellow 93 is an azomethine dye. Solvent Yellow 93 is used as a colorant of toner[1][2].
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers99 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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