9-Chloro-2-(naphthalen-2-YL)-1,10B-dihydrospiro[benzo[E]pyrazolo[1,5-C][1,3]oxazine-5,1'-cyclohexane]
Basic information
- CAS
303060-59-5- Standard SMILES
Clc1ccc2c(c1)C1CC(c3ccc4ccccc4c3)=NN1C1(CCCCC1)O2- InChIKey
FUAJTTSBRFIAJX-UHFFFAOYSA-N- Molecular formula
- C25H23ClN2O
- Average molar mass
- 402.9 g/mol
- Monoisotopic mass
- 402.1498911
Names & identifiers
- Preferred name
- 9-Chloro-2-(naphthalen-2-YL)-1,10B-dihydrospiro[benzo[E]pyrazolo[1,5-C][1,3]oxazine-5,1'-cyclohexane]
- IUPAC
- 9-chloro-2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
Names & synonyms
9-Chloro-2-(naphthalen-2-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,1'-cyclohexane]303060-59-59-CHLORO-2-(NAPHTHALEN-2-YL)-1,10B-DIHYDROSPIRO(BENZO(E)PYRAZOLO(1,5-C)(1,3)OXAZINE-5,1'-CYCLOHEXANE)RefChem:549301663-016-29-chloro-2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]Oprea1_261785AKOS024424019ST5124713812'-chloro-4'-(naphthalen-2-yl)-8'-oxa-5',6'-diazaspiro[cyclohexane-1,7'-tricyclo[7.4.0.0(2),]tridecane]-1'(13'),4',9',11'-tetraene12'-chloro-4'-(naphthalen-2-yl)-8'-oxa-5',6'-diazaspiro[cyclohexane-1,7'-tricyclo[7.4.0.0,tridecane]-1'(13'),4',9',11'-tetraene
Database identifiers
- CAS
303060-59-5- PubChem CID
- 3333135
- EC Number
- 663-016-2
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 645
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 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 CategoriesSkin Irrit. 2 (100%)
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Compound notes
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