5-(4-Bromophenyl)-7,9-dichloro-2-thien-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Basic information
- CAS
332063-22-6- Standard SMILES
Clc1cc(Cl)c2c(c1)C1CC(c3cccs3)=NN1C(c1ccc(Br)cc1)O2- InChIKey
FTEWZNXBIBXQGM-UHFFFAOYSA-N- Molecular formula
- C20H13BrCl2N2OS
- Average molar mass
- 480.2 g/mol
- Monoisotopic mass
- 477.9309
Names & identifiers
- Preferred name
- 5-(4-Bromophenyl)-7,9-dichloro-2-thien-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- IUPAC
- 5-(4-bromophenyl)-7,9-dichloro-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 5-(4-bromophenyl)-7,9-dichloro-2-thien-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- Molecular formula
- C20H13BrCl2N2OS
- Molecular weight
- 480.2
Names & synonyms
5-(4-bromophenyl)-7,9-dichloro-2-thien-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine332063-22-6STL191895AKOS0244216835-(4-bromophenyl)-7,9-dichloro-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazineAG-690/124054705-(4-bromophenyl)-7,9-dichloro-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine5-(4-bromophenyl)-7,9-dichloro-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine5H-Pyrazolo[1,5-c][1,3]benzoxazine, 5-(4-bromophenyl)-7,9-dichloro-1,10b-dihydro-2-(2-thienyl)-
Database identifiers
- CAS
332063-22-6- PubChem CID
- 3122014
- EC Number
- 159-982-5
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 588
Physicochemical properties
- Boiling point
- 573 · 573.0±60.0 °C(Predicted)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- pka
- 2.8 · 2.80±0.40(Predicted)
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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