5,5-Dimethyl-2-(2-naphthyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
Basic information
- CAS
303060-54-0- Standard SMILES
CC1(C)Oc2ccccc2C2CC(c3ccc4ccccc4c3)=NN21- InChIKey
CQZCJPSQSMQXFL-UHFFFAOYSA-N- Molecular formula
- C22H20N2O
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.15756327
Names & identifiers
- Preferred name
- 5,5-Dimethyl-2-(2-naphthyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
- IUPAC
- 5,5-dimethyl-2-naphthalen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- English name
- 7,7-dimethyl-4-(naphthalen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene
- Molecular formula
- C22H20N2O
- Molecular weight
- 328.41
Names & synonyms
303060-54-05,5-dimethyl-2-(2-naphthyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine5,5-Dimethyl-2-(2-naphthyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazineRefChem:527740663-056-05,5-Dimethyl-2-(naphthalen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazineOprea1_006061AKOS0243443457,7-dimethyl-4-(naphthalen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0(2),]trideca-1(13),4,9,11-tetraene7,7-dimethyl-4-(naphthalen-2-yl)-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-5,5-dimethyl-2-(2-naphthalenyl)-7,7-dimethyl-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
303060-54-0- PubChem CID
- 3333130
- EC Number
- 663-056-0
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 542
Physicochemical properties
- Boiling point
- 485.5 · 485.5±55.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 4.54 · 4.54±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501
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)
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,GHS09
- Hazard statements
- H410-H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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