2-(4-BR-PH)-9-CL-5-(4-Chlorophenyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
Basic information
- CAS
302914-14-3- Standard SMILES
Clc1ccc(C2Oc3ccc(Cl)cc3C3CC(c4ccc(Br)cc4)=NN32)cc1- InChIKey
AIGWYVWIPQQCEG-UHFFFAOYSA-N- Molecular formula
- C22H15BrCl2N2O
- Average molar mass
- 474.2 g/mol
- Monoisotopic mass
- 471.97448
Names & identifiers
- Preferred name
- 2-(4-BR-PH)-9-CL-5-(4-Chlorophenyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
- IUPAC
- 2-(4-bromophenyl)-9-chloro-5-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 4-(4-bromophenyl)-12-chloro-7-(4-chlorophenyl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene
- Molecular formula
- C22H15BrCl2N2O
- Molecular weight
- 474.18
Names & synonyms
302914-14-32-(4-BR-PH)-9-CL-5-(4-CHLOROPHENYL)-1,10B-DIHYDROPYRAZOLO(1,5-C)(1,3)BENZOXAZINERefChem:456846664-054-22-(4-Bromophenyl)-9-chloro-5-(4-chlorophenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazineAKOS0244238725H-Pyrazolo[1,5-c][1,3]benzoxazine, 2-(4-bromophenyl)-9-chloro-5-(4-chlorophenyl)-1,10b-dihydro-4-(4-bromophenyl)-12-chloro-7-(4-chlorophenyl)-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene
Database identifiers
- CAS
302914-14-3- PubChem CID
- 4299826
- EC Number
- 664-054-2
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
- 28
- Formal charge
- 0
- Complexity
- 589
Physicochemical properties
- Boiling point
- 565.3 · 565.3±60.0 °C(Predicted)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- pka
- 3.09 · 3.09±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H413-H335
- 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
- H315-H319-H413-H335
- 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
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