5-(4-BR-PH)-7,9-DI-CL-2-(4-Meo-PH)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
Basic information
- CAS
303061-36-1- Standard SMILES
COc1ccc(C2=NN3C(C2)c2cc(Cl)cc(Cl)c2OC3c2ccc(Br)cc2)cc1- InChIKey
SBSYCHBZXCZDFQ-UHFFFAOYSA-N- Molecular formula
- C23H17BrCl2N2O2
- Average molar mass
- 504.2 g/mol
- Monoisotopic mass
- 501.98505
Names & identifiers
- Preferred name
- 5-(4-BR-PH)-7,9-DI-CL-2-(4-Meo-PH)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
- IUPAC
- 5-(4-bromophenyl)-7,9-dichloro-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 7-(4-bromophenyl)-10,12-dichloro-4-(4-methoxyphenyl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene
- Molecular formula
- C23H17BrCl2N2O2
- Molecular weight
- 504.2
Names & synonyms
303061-36-1RefChem:5301565-(4-BR-PH)-7,9-DI-CL-2-(4-Meo-PH)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine662-569-75-(4-bromophenyl)-7,9-dichloro-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine5-(4-Bromophenyl)-7,9-dichloro-2-(4-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazineSTL191774AKOS0244240425H-Pyrazolo[1,5-c][1,3]benzoxazine, 5-(4-bromophenyl)-7,9-dichloro-1,10b-dihydro-2-(4-methoxyphenyl)-7-(4-bromophenyl)-10,12-dichloro-4-(4-methoxyphenyl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene
Database identifiers
- CAS
303061-36-1- PubChem CID
- 5204897
- EC Number
- 662-569-7
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 637
Physicochemical properties
- Boiling point
- 591.6 · 591.6±60.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 3.77 · 3.77±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H413-H335-H319
- 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
- H315-H413-H335-H319
- 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…