Basic information
- CAS
18636-89-0- Standard SMILES
[O-][n+]1cc2ccccc2cn1- InChIKey
PRBHEDKMKAOBBP-UHFFFAOYSA-N- Molecular formula
- C8H6N2O
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.04801282
Names & identifiers
- Preferred name
- Phthalazine 2-oxide
- IUPAC
- 2-oxidophthalazin-2-ium
- English name
- PHTHALAZINE-2-OXIDE
- Molecular weight
- 0
Names & synonyms
Phthalazine 2-oxide18636-89-0PHTHALAZIN-2-IUM-2-OLATEPhthalazine-2-oxidephthalazine oxideHydralazine N-oxidePhthalazine N-oxidestarbld0012460SCHEMBL62146SCHEMBL5037102-Oxo-2lambda~5~-phthalazineSCHEMBL28591674
Show more names
DTXSID20916699PRBHEDKMKAOBBP-UHFFFAOYSA-NAKOS006277208
Database identifiers
- CAS
18636-89-0- PubChem CID
- 87735
- DTXSID
DTXSID20916699- Nikkaji
- J103.170H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 38.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Related reactions
1 records
Compound notes
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