7,9-DI-CL-5-ME-5-(4-Nitro-PH)-2-PH-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
Basic information
- CAS
302914-22-3- Standard SMILES
CC1(c2ccc([N+](=O)[O-])cc2)Oc2c(Cl)cc(Cl)cc2C2CC(c3ccccc3)=NN21- InChIKey
SJJAGJCMTQKWHF-UHFFFAOYSA-N- Molecular formula
- C23H17Cl2N3O3
- Average molar mass
- 454.3 g/mol
- Monoisotopic mass
- 453.0646968
Names & identifiers
- Preferred name
- 7,9-DI-CL-5-ME-5-(4-Nitro-PH)-2-PH-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
- IUPAC
- 7,9-dichloro-5-methyl-5-(4-nitrophenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
- English name
- 10,12-dichloro-7-methyl-7-(4-nitrophenyl)-4-phenyl-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene
- Molecular formula
- C23H17Cl2N3O3
- Molecular weight
- 454.31
Names & synonyms
302914-22-37,9-DI-CL-5-ME-5-(4-NITRO-PH)-2-PH-1,10B-DIHYDROPYRAZOLO(1,5-C)(1,3)BENZOXAZINERefChem:544866664-067-37,9-Dichloro-5-methyl-5-(4-nitrophenyl)-2-phenyl-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazineAKOS0244238755H-Pyrazolo[1,5-c][1,3]benzoxazine, 7,9-dichloro-1,10b-dihydro-5-methyl-5-(4-nitrophenyl)-2-phenyl-10,12-dichloro-7-methyl-7-(4-nitrophenyl)-4-phenyl-8-oxa-5,6-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraene
Database identifiers
- CAS
302914-22-3- PubChem CID
- 4179864
- EC Number
- 664-067-3
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 717
Physicochemical properties
- Boiling point
- 591.2 · 591.2±60.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 2.68 · 2.68±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 335 · H335-H410-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-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
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, P391, 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,GHS09
- Hazard statements
- H335-H410-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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