Basic information
- CAS
303061-02-1- Standard SMILES
COc1ccc(C2=NN3C(C2)c2cc(Br)ccc2OC3c2cccc([N+](=O)[O-])c2)cc1- InChIKey
MLWVGOLPNXWRCB-UHFFFAOYSA-N- Molecular formula
- C23H18BrN3O4
- Average molar mass
- 480.3 g/mol
- Monoisotopic mass
- 479.04807
Names & identifiers
- Preferred name
- 4(9-BR-5(3-Nitro-PH)1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazin-2-YL)PH ME ether
- IUPAC
- 9-bromo-2-(4-methoxyphenyl)-5-(3-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 9-bromo-5-{3-nitrophenyl}-2-[4-(methyloxy)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- Molecular formula
- C23H18BrN3O4
- Molecular weight
- 480.31072
Names & synonyms
303061-02-1RefChem:5062974(9-BR-5(3-Nitro-PH)1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazin-2-YL)PH ME ether662-268-09-bromo-2-(4-methoxyphenyl)-5-(3-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine9-bromo-2-(4-methoxyphenyl)-5-(3-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine9-Bromo-2-(4-methoxyphenyl)-5-(3-nitrophenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazineSCHEMBL15213491STK952662AKOS000618458AKOS016246010ST50079067
Show more names
AG-690/124093991-[2-bromo-6-(3-nitrophenyl)(6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxazin-9-y l)]-4-methoxybenzene4-[9-bromo-5-(3-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether9-bromo-5-{3-nitrophenyl}-2-[4-(methyloxy)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Database identifiers
- CAS
303061-02-1- PubChem CID
- 3121925
- EC Number
- 662-268-0
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 693
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-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, 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-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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