2-(2-Naphthyl)-5-(4-nitrophenyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
Basic information
- CAS
303060-50-6- Standard SMILES
O=[N+]([O-])c1ccc(C2Oc3ccccc3C3CC(c4ccc5ccccc5c4)=NN32)cc1- InChIKey
DSARVHAOKOXGML-UHFFFAOYSA-N- Molecular formula
- C26H19N3O3
- Average molar mass
- 421.4 g/mol
- Monoisotopic mass
- 421.14264148
Names & identifiers
- Preferred name
- 2-(2-Naphthyl)-5-(4-nitrophenyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
- IUPAC
- 2-naphthalen-2-yl-5-(4-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 4-(naphthalen-2-yl)-7-(4-nitrophenyl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene
- Molecular formula
- C26H19N3O3
- Molecular weight
- 421.45
Names & synonyms
303060-50-62-(2-NAPHTHYL)-5-(4-NITROPHENYL)-1,10B-DIHYDROPYRAZOLO(1,5-C)(1,3)BENZOXAZINERefChem:454277663-315-82-(Naphthalen-2-yl)-5-(4-nitrophenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazineSTL191814AKOS0244240132-(naphthalen-2-yl)-5-(4-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine4-(naphthalen-2-yl)-7-(4-nitrophenyl)-8-oxa-5,6-diazatricyclo[7.4.0.0(2),]trideca-1(13),4,9,11-tetraene4-(naphthalen-2-yl)-7-(4-nitrophenyl)-8-oxa-5,6-diazatricyclo[7.4.0.0,trideca-1(13),4,9,11-tetraene5H-Pyrazolo[1,5-c][1,3]benzoxazine, 1,10b-dihydro-2-(2-naphthalenyl)-5-(4-nitrophenyl)-4-(naphthalen-2-yl)-7-(4-nitrophenyl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene
Database identifiers
- CAS
303060-50-6- PubChem CID
- 3333127
- EC Number
- 663-315-8
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 728
Physicochemical properties
- Boiling point
- 633 · 633.0±65.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 3.78 · 3.78±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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