4-Methyl-N'-[(4-nitrophenyl)methylidene]benzene-1-sulfonohydrazide
Basic information
- CAS
1747-50-8- Standard SMILES
Cc1ccc(S(=O)(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
WIZQIGJXWBUJMH-UHFFFAOYSA-N- Molecular formula
- C14H13N3O4S
- Average molar mass
- 319.34 g/mol
- Monoisotopic mass
- 319.06267708
Names & identifiers
- Preferred name
- 4-Methyl-N'-[(4-nitrophenyl)methylidene]benzene-1-sulfonohydrazide
- IUPAC
- 4-methyl-N-[(4-nitrophenyl)methylideneamino]benzenesulfonamide
- English name
- Benzenesulfonic acid,4-methyl-, 2-[(4-nitrophenyl)methylene]hydrazide
- Molecular formula
- C14H13N3O4S
- Molecular weight
- 319.34
Names & synonyms
4-Methyl-N'-[(4-nitrophenyl)methylidene]benzene-1-sulfonohydrazideMaybridge1_000594CBMicro_014943SCHEMBL15055255DTXSID109385474-methyl-N'-(4-nitrobenzylidene)benzenesulfonohydrazide4-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamideBenzenesulfonic acid,4-methyl-, 2-[(4-nitrophenyl)methylene]hydrazide
Database identifiers
- CAS
1747-50-8- PubChem CID
- 283399
- DTXSID
DTXSID10938547
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 493
Physicochemical properties
- Melting point
- 153 · 153-156 °C
- Boiling point
- 503.9 · 503.9±60.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 8.92 · 8.92±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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