1H-Pyrazol-5-amine, 3-methyl-4-[[4-(methylsulfonyl)-2-nitrophenyl]azo]-1-phenyl-
Basic information
- CAS
70210-09-2- Standard SMILES
Cc1nn(-c2ccccc2)c(N)c1N=Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]- InChIKey
BBCXHOYGGYKBRN-UHFFFAOYSA-N- Molecular formula
- C17H16N6O4S
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.09537419
Names & identifiers
- Preferred name
- 1H-Pyrazol-5-amine, 3-methyl-4-[[4-(methylsulfonyl)-2-nitrophenyl]azo]-1-phenyl-
- IUPAC
- 3-methyl-4-[(4-methylsulfonyl-2-nitrophenyl)diazenyl]-1-phenylpyrazol-5-amine
- English name
- 3-methyl-4-[[4-(methylsulphonyl)-2-nitrophenyl]azo]-1-phenyl-1H-pyrazol-5-amine
- Molecular formula
- C17H16N6O4S
- Molecular weight
- 400.41
Names & synonyms
1H-Pyrazol-5-amine, 3-methyl-4-[[4-(methylsulfonyl)-2-nitrophenyl]azo]-1-phenyl-DTXSID70720441H-Pyrazol-5-amine, 3-methyl-4-((4-(methylsulfonyl)-2-nitrophenyl)azo)-1-phenyl-RefChem:438921DTXCID504664770210-09-21H-Pyrazol-5-amine, 3-methyl-4-(2-(4-(methylsulfonyl)-2-nitrophenyl)diazenyl)-1-phenyl-EINECS 274-406-31H-Pyrazol-5-amine, 3-methyl-4-[2-[4-(methylsulfonyl)-2-nitrophenyl]diazenyl]-1-phenyl-FA3DT29VPTBBCXHOYGGYKBRN-UHFFFAOYSA-NNS00037020
Show more names
3-Methyl-4-[4-(methylsulfonyl)-2-nitrophenylazo]-1-phenyl-1H-pyrazol-5-amine3-methyl-4-[[4-(methylsulphonyl)-2-nitrophenyl]azo]-1-phenyl-1H-pyrazol-5-amine1H-Pyrazol-5-amine, 3-methyl-4-[[4-(methylsulfonyl) -2-nitrophenyl]azo]-1-phenyl-
3-Methyl-4-((4-(methylsulphonyl)-2-nitrophenyl)azo)-1-phenyl-1H-pyrazol-5-amine3-Methyl-4-[2-[4-(methylsulfonyl)-2-nitrophenyl]diazenyl]-1-phenyl-1H-pyrazol-5-amine4-{[4-(Methanesulfonyl)-2-nitrophenyl]diazenyl}-3-methyl-1-phenyl-1H-pyrazol-5-amine
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 685
Physicochemical properties
- Boiling point
- 694.4 · 694.4±55.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- -0.29 · -0.29±0.10(Predicted)
- EPA Substance Registry System
- 1 H-Pyrazol-5-amine, · 1H-Pyrazol-5-amine, 3-methyl-4-[[4-(methylsulfonyl)-2-nitrophenyl]azo]-1-phenyl- (70210-09-2)
- 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.
Hazard information
Regulatory InformationChemical: 1H-Pyrazol-5-amine, 3-methyl-4-[[4-(methylsulfonyl)-2-nitrophenyl]azo]-1-phenyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Pyrazol-5-amine, 3-methyl-4-[2-[4-(methylsulfonyl)-2-nitrophenyl]diazenyl]-1-phenyl-: INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…