7,9-Dichloro-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
Basic information
- CAS
303061-42-9- Standard SMILES
CCOc1ccc(C2Oc3c(Cl)cc(Cl)cc3C3CC(c4ccc(OC)cc4)=NN32)cc1- InChIKey
WINKCKCXQGXDHR-UHFFFAOYSA-N- Molecular formula
- C25H22Cl2N2O3
- Average molar mass
- 469.4 g/mol
- Monoisotopic mass
- 468.100748
Names & identifiers
- Preferred name
- 7,9-Dichloro-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
- IUPAC
- 7,9-dichloro-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- English name
- 7,9-dichloro-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
- Molecular formula
- C25H22Cl2N2O3
- Molecular weight
- 469.36
Names & synonyms
303061-42-97,9-dichloro-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine7,9-Dichloro-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazineRefChem:544898662-751-67,9-Dichloro-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazineSTK538972AKOS0054696357,9-dichloro-5-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine5H-Pyrazolo[1,5-c][1,3]benzoxazine, 7,9-dichloro-5-(4-ethoxyphenyl)-1,10b-dihydro-2-(4-methoxyphenyl)-
Database identifiers
- CAS
303061-42-9- PubChem CID
- 3701397
- EC Number
- 662-751-6
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 43.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 664
Physicochemical properties
- Boiling point
- 596.6 · 596.6±60.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 3.94 · 3.94±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H319-H335-H315
- 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, P273, 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
- H413-H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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