7,9-Dichloro-5-(3-nitrophenyl)-2-PH-1,10B-dihydropyrazolo (1,5-C) (1,3)benzoazine
Basic information
- CAS
302904-04-7- Standard SMILES
O=[N+]([O-])c1cccc(C2Oc3c(Cl)cc(Cl)cc3C3CC(c4ccccc4)=NN32)c1- InChIKey
ABTVVKFKTBEZOQ-UHFFFAOYSA-N- Molecular formula
- C22H15Cl2N3O3
- Average molar mass
- 440.3 g/mol
- Monoisotopic mass
- 439.0490467
Names & identifiers
- Preferred name
- 7,9-Dichloro-5-(3-nitrophenyl)-2-PH-1,10B-dihydropyrazolo (1,5-C) (1,3)benzoazine
- IUPAC
- 7,9-dichloro-5-(3-nitrophenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 7,9-dichloro-5-(3-nitrophenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- Molecular formula
- C22H15Cl2N3O3
- Molecular weight
- 440.28
Names & synonyms
302904-04-7RefChem:5448967,9-Dichloro-5-(3-nitrophenyl)-2-PH-1,10B-dihydropyrazolo (1,5-C) (1,3)benzoazine631-146-97,9-Dichloro-5-(3-nitrophenyl)-2-phenyl-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazineSTK740073AKOS002184697AKOS0162453517,9-dichloro-5-(3-nitrophenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazineST500791922,4-dichloro-6-(3-nitrophenyl)-9-phenyl-6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3 -oxazine7,9-DICHLORO-5-(3-NITROPHENYL)-2-PH-1,10B-DIHYDROPYRAZOLO(1,5-C)(1,3)BENZOXAZINE
Show more names
7,9-dichloro-5-(3-nitrophenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine5H-Pyrazolo[1,5-c][1,3]benzoxazine, 7,9-dichloro-1,10b-dihydro-5-(3-nitrophenyl)-2-phenyl-
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 681
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
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
H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, 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 CategoriesEye Irrit. 2 (97.4%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H410-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
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Related reactions
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Compound notes
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