Basic information
- CAS
315249-17-3- Standard SMILES
O=[N+]([O-])c1cc(C2Oc3ccccc3C3CC(c4ccccc4)=NN32)ccc1Cl- InChIKey
XLZHPXGYQYOQID-UHFFFAOYSA-N- Molecular formula
- C22H16ClN3O3
- Average molar mass
- 405.8 g/mol
- Monoisotopic mass
- 405.0880191
Names & identifiers
- Preferred name
- 5-(4-Chloro-3-nitrophenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- IUPAC
- 5-(4-chloro-3-nitrophenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 5-{4-chloro-3-nitrophenyl}-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- Molecular formula
- C22H16ClN3O3
- Molecular weight
- 405.83
Names & synonyms
5-(4-chloro-3-nitrophenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine5-(4-chloro-3-nitrophenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine5-(4-CHLORO-3-NITROPHENYL)-2-PHENYL-1,10B-DIHYDROPYRAZOLO(1,5-C)(1,3)BENZOXAZINE5-{4-chloro-3-nitrophenyl}-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazineSTK047552AKOS000487593AKOS022086970315249-17-3AN-329/147270025H-Pyrazolo[1,5-c][1,3]benzoxazine, 5-(4-chloro-3-nitrophenyl)-1,10b-dihydro-2-phenyl-
Database identifiers
- CAS
315249-17-3- PubChem CID
- 2909288
- EC Number
- 133-850-7
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 648
Physicochemical properties
- Boiling point
- 563.3 · 563.3±60.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 3.23 · 3.23±0.40(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers4 total
ARONIS[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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