9-BR-5-(4-BR-Phenyl)-2-(2-naphthyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
Basic information
- CAS
303060-13-1- Standard SMILES
Brc1ccc(C2Oc3ccc(Br)cc3C3CC(c4ccc5ccccc5c4)=NN32)cc1- InChIKey
DQJUTUDQBXNBKO-UHFFFAOYSA-N- Molecular formula
- C26H18Br2N2O
- Average molar mass
- 534.2 g/mol
- Monoisotopic mass
- 531.97859
Names & identifiers
- Preferred name
- 9-BR-5-(4-BR-Phenyl)-2-(2-naphthyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
- IUPAC
- 9-bromo-5-(4-bromophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 12-bromo-7-(4-bromophenyl)-4-(naphthalen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene
- Molecular formula
- C26H18Br2N2O
- Molecular weight
- 534.24
Names & synonyms
303060-13-19-BR-5-(4-BR-PHENYL)-2-(2-NAPHTHYL)-1,10B-DIHYDROPYRAZOLO(1,5-C)(1,3)BENZOXAZINERefChem:549235662-810-69-Bromo-5-(4-bromophenyl)-2-(naphthalen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazineSTL191716AKOS02442398212-bromo-7-(4-bromophenyl)-4-(naphthalen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0(2),]trideca-1(13),4,9,11-tetraene12-bromo-7-(4-bromophenyl)-4-(naphthalen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0,trideca-1(13),4,9,11-tetraene9-bromo-5-(4-bromophenyl)-2-(naphthalen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine5H-Pyrazolo[1,5-c][1,3]benzoxazine, 9-bromo-5-(4-bromophenyl)-1,10b-dihydro-2-(2-naphthalenyl)-12-bromo-7-(4-bromophenyl)-4-(naphthalen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene
Database identifiers
- CAS
303060-13-1- PubChem CID
- 3308474
- EC Number
- 662-810-6
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 678
Physicochemical properties
- Boiling point
- 629.6 · 629.6±65.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- 3.67 · 3.67±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H413
- 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, P273, 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 38 reports by companies from 1 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-H335-H315-H413
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…