Basic information
- CAS
715-99-1- Standard SMILES
Cc1nn(-c2ccccc2)c(C)c1N=O- InChIKey
SCHFUNOUOHIHSX-UHFFFAOYSA-N- Molecular formula
- C11H11N3O
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.09021198
Names & identifiers
- Preferred name
- 3,5-Dimethyl-4-nitroso-1-phenylpyrazole
- IUPAC
- 3,5-dimethyl-4-nitroso-1-phenylpyrazole
- English name
- 3,5-dimethyl-4-nitroso-1-phenyl-pyrazole
- Molecular formula
- C11H11N3O
- Molecular weight
- 201.22
Names & synonyms
715-99-13,5-Dimethyl-4-nitroso-1-phenylpyrazoleNSC-187253,5-Dimethyl-4-nitroso-1-phenyl-1H-pyrazolePyrazole, 3,5-dimethyl-4-nitroso-1-phenyl-1H-Pyrazole, 3,5-dimethyl-4-nitroso-1-phenyl-RQ8OH6EY4GNSC 18725BRN 0168053UNII-RQ8OH6EY4G1-Phenyl-3,5-dimethyl-4-nitroso-pyrazol [German]1-phenyl-3,5-dimethyl-4-nitrosopyrazole
Show more names
1-Phenyl-3,5-dimethyl-4-nitroso-pyrazolDTXSID302217214-23-00-00627 (Beilstein Handbook Reference)3,5-DIMETHYL-1-PHENYL-4-NITROSOPYRAZOLERefChem:198112DTXCID601442121H-Pyrazole, 3,5-dimethyl-4-nitroso-1-phenyl-(9CI)3,5-DIMETHYL-4-NITROSO-1-PHENYL-PYRAZOLE
Database identifiers
- CAS
715-99-1- PubChem CID
- 12853
- DTXSID
DTXSID30221721- UNII
- RQ8OH6EY4G
- Nikkaji
- J6.945K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
Experimental & physicochemical properties
LogP2.28
Physicochemical properties
- Melting point
- 95 · 95-97 °C
- Boiling point
- 353.1 · 353.1±42.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- -4.14 · -4.14±0.10(Predicted)
- FDA UNII
- 8 OH6EY4G · RQ8OH6EY4G
- Toxicity
- 150 mg/kg · LDLo intraperitoneal in rat: 150mg/kg
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
- Toxicity
- LDLo intraperitoneal in rat: 150mg/kg
Chemistry & industry
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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