Basic information
- CAS
332063-19-1- Standard SMILES
O=[N+]([O-])c1cccc(C2Oc3ccc(Br)cc3C3CC(c4cccs4)=NN32)c1- InChIKey
WHJXGTMGKLRQCC-UHFFFAOYSA-N- Molecular formula
- C20H14BrN3O3S
- Average molar mass
- 456.3 g/mol
- Monoisotopic mass
- 454.99393
Names & identifiers
- Preferred name
- 9-bromo-5-(3-nitrophenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- IUPAC
- 9-bromo-5-(3-nitrophenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 9-bromo-5-(3-nitrophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- Molecular formula
- C20H14BrN3O3S
- Molecular weight
- 456.31
Names & synonyms
332063-19-19-bromo-5-(3-nitrophenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine9-bromo-5-(3-nitrophenyl)-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazineSTK740262AKOS000618535AKOS016245438ST50079467AG-690/124094389-bromo-5-{3-nitrophenyl}-2-thien-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine2-[2-bromo-6-(3-nitrophenyl)-6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-9-y l]thiophene9-BROMO-5-(3-NITROPHENYL)-2-(2-THIENYL)-1,10B-DIHYDROPYRAZOLO[1,5-C][1,3]BENZOXAZINE9-bromo-5-(3-nitrophenyl)-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine
Show more names
5H-Pyrazolo[1,5-c][1,3]benzoxazine, 9-bromo-1,10b-dihydro-5-(3-nitrophenyl)-2-(2-thienyl)-
Database identifiers
- CAS
332063-19-1- PubChem CID
- 3122012
- EC Number
- 114-027-1
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 645
Physicochemical properties
- Boiling point
- 581.5 · 581.5±60.0 °C(Predicted)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- pka
- 2.96 · 2.96±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
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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. 2 (100%)
Chemistry & industry
Suppliers5 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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