Basic information
- CAS
15866-34-9- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1cccc([N+](=O)[O-])c1- InChIKey
PZXOCQUAKJQUKL-UHFFFAOYSA-N- Molecular formula
- C16H13N5O3
- Average molar mass
- 323.31 g/mol
- Monoisotopic mass
- 323.10183929
Overview
See other relationships...
Names & identifiers
- Preferred name
- 5-methyl-4-[(E)-(3-nitrophenyl)diazenyl]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 5-methyl-4-[(3-nitrophenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one
- English name
- SALOR-INT L210846-1EA
- Molecular formula
- C16H13N5O3
- Molecular weight
- 323.31
Names & synonyms
15866-34-95-methyl-4-[(E)-(3-nitrophenyl)diazenyl]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one5-methyl-4-[(3-nitrophenyl)diazenyl]-2-phenyl-4H-pyrazol-3-oneSTK382955DTXSID80395885AKOS005451903VITAS-BB TBB013688SALOR-INT L210846-1EA5-METHYL-4-((3-NITROPHENYL)DIAZENYL)-2-PHENYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-[2-(3-nitrophenyl)diazenyl]-2-phenyl-
Database identifiers
- CAS
15866-34-9- PubChem CID
- 3748552
- DTXSID
DTXSID80395885
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 550
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H315-H301-H335
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
- GHS06
- Hazard statements
- H319-H315-H301-H335
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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