Basic information
- CAS
303060-49-3- Standard SMILES
Oc1ccc(Br)cc1C1Oc2ccccc2C2CC(c3ccc4ccccc4c3)=NN21- InChIKey
SMXFFUBYUKAKJJ-UHFFFAOYSA-N- Molecular formula
- C26H19BrN2O2
- Average molar mass
- 471.3 g/mol
- Monoisotopic mass
- 470.06299
Names & identifiers
- Preferred name
- 4-BR-2-(2-(2-Naphthyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazin-5-YL)phenol
- IUPAC
- 4-bromo-2-(2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenol
Names & synonyms
303060-49-3RefChem:5187604-BR-2-(2-(2-Naphthyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazin-5-YL)phenol663-317-94-Bromo-2-(2-(naphthalen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)phenolSTL191883AKOS0244240124-bromo-2-[2-(2-naphthyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol4-bromo-2-[2-(naphthalen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenol4-bromo-2-[4-(naphthalen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0(2),]trideca-1(13),4,9,11-tetraen-7-yl]phenol4-bromo-2-[4-(naphthalen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0,trideca-1(13),4,9,11-tetraen-7-yl]phenol
Database identifiers
- CAS
303060-49-3- PubChem CID
- 3131192
- EC Number
- 663-317-9
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 686
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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