Basic information
- CAS
303060-01-7- Standard SMILES
Brc1ccc(C2Oc3ccccc3C3CC(c4ccc5ccccc5c4)=NN32)cc1- InChIKey
YCFRDBYHNWLJNY-UHFFFAOYSA-N- Molecular formula
- C26H19BrN2O
- Average molar mass
- 455.3 g/mol
- Monoisotopic mass
- 454.06808
Names & identifiers
- Preferred name
- 5-(4-Bromophenyl)-2-(2-naphthyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
- IUPAC
- 5-(4-bromophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 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
- C26H19BrN2O
- Molecular weight
- 455.35
Names & synonyms
303060-01-75-(4-BROMOPHENYL)-2-(2-NAPHTHYL)-1,10B-DIHYDROPYRAZOLO(1,5-C)(1,3)BENZOXAZINERefChem:530185663-372-95-(4-Bromophenyl)-2-(naphthalen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazineSTK952800AKOS001061375AKOS016245928ST500782915-(4-bromophenyl)-2-(naphthalen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine6-(4-bromophenyl)-9-(2-naphthyl)-6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin e7-(4-bromophenyl)-4-(naphthalen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0(2),]trideca-1(13),4,9,11-tetraene
Show more names
5H-Pyrazolo[1,5-c][1,3]benzoxazine, 5-(4-bromophenyl)-1,10b-dihydro-2-(2-naphthalenyl)-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
7-(4-bromophenyl)-4-(naphthalen-2-yl)-8-oxa-5,6-diazatricyclo[7.4.0.0,trideca-1(13),4,9,11-tetraene
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 645
Physicochemical properties
- Boiling point
- 601.9 · 601.9±65.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 4.02 · 4.02±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H413-H315
- 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 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
- H335-H319-H413-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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