Basic information
- CAS
17334-68-8- Standard SMILES
Cc1onc2c(=O)[nH]nc(-c3ccccc3)c12- InChIKey
YUQZAUWIHXYWKC-UHFFFAOYSA-N- Molecular formula
- C12H9N3O2
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.06947654
Names & identifiers
- Preferred name
- 3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-one
- IUPAC
- 3-methyl-4-phenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
- English name
- 3-Methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one
- Molecular formula
- C12H9N3O2
- Molecular weight
- 227.22
Names & synonyms
3-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one3-methyl-4-phenyl-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one3-Methyl-4-phenylisoxazolo(3,4-d)pyridazin-7(6H)-one3-methyl-4-phenyl-6H,7H-(1,2)oxazolo(3,4-d)pyridazin-7-oneRefChem:503911605-676-617334-68-83-methyl-4-phenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-oneMFCD00828947Isoxazolo[3,4-d]pyridazin-7(6H)-one, 3-methyl-4-phenyl-ISOXAZOLE(3,4-d)PYRIDAZIN-7(6H)-ONE, 3-METHYL-4-PHENYL-BRN 0990530
Show more names
4-Phenyl-3-methylisoxazolo[3,4-d]pyridazine-7(6H)-one
YUQZAUWIHXYWKC-UHFFFAOYSA-N3-Methyl-4-phenylisoxazole(3,4-d)pyridazin-7(6H)-oneSCHEMBL994138DTXSID90169599HMS1661B03SAA33468NSC765774AKOS005103432
Database identifiers
- CAS
17334-68-8- PubChem CID
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 10.46 · 10.46±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
2 records
Compound notes
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