4-Benzyl-1(2H)-phthalazinone
Basic information
- CAS
32003-14-8- Standard SMILES
O=c1[nH]nc(Cc2ccccc2)c2ccccc12- InChIKey
JUCCMEHWBGPJKS-UHFFFAOYSA-N- Molecular formula
- C15H12N2O
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.09496301
Names & identifiers
- Preferred name
- 4-Benzyl-1(2H)-phthalazinone
- IUPAC
- 4-benzyl-2H-phthalazin-1-one
- English name
- 4-Benzyl-1(2H)-phthalazinone
- Molecular formula
- C15H12N2O
- Molecular weight
- 236.27
Names & synonyms
4-Benzyl-1(2H)-phthalazinone4-benzylphthalazin-1(2H)-one32003-14-84-Benzyl-2H-phthalazin-1-one4-benzyl-1,2-dihydrophthalazin-1-one4-benzyl-phthalazin-1-oneMFCD00139376LL8JLO3GTI4-Benzyl-1-phthalazinol1(2H)-Phthalazinone, 4-(phenylmethyl)-CHEMBL667614-(Phenylmethyl)-1(2H)-phthalazinone
Show more names
4-(Phenylmethyl)-2H-phthalazin-1-onephthalazinone, 14-benzyl-phthalazoneSMR000135223UNII-LL8JLO3GTIChemDiv2_000142Cambridge id 5241846Oprea1_151142
Database identifiers
- CAS
32003-14-8- PubChem CID
- 616651
- DTXSID
DTXSID30346948- ChEMBL
CHEMBL66761- UNII
- LL8JLO3GTI
- Nikkaji
- J1.410.181K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
Experimental & physicochemical properties
LogP2.8
Physicochemical properties
- Melting point
- 198 °C · 198.00°C - 199.00°C
- Density
- 1.21 · 1.210±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 12.287 · 12.287±0.40(predicted)
- FDA UNII
- 8 JLO3GTI · LL8JLO3GTI
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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