3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
Basic information
- CAS
16015-49-9- Standard SMILES
O=C(O)c1nn(Cc2ccccc2)c(=O)c2ccccc12- InChIKey
ZXWKUKKFDVBJOQ-UHFFFAOYSA-N- Molecular formula
- C16H12N2O3
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.08479225
Names & identifiers
- Preferred name
- 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
- IUPAC
- 3-benzyl-4-oxophthalazine-1-carboxylic acid
- English name
- 3-Benzyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid
- Molecular formula
- C16H12N2O3
- Molecular weight
- 280.28
Names & synonyms
16015-49-93-benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid3-Benzyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid3-benzyl-4-oxophthalazine-1-carboxylic acid1-Phthalazinecarboxylicacid, 3,4-dihydro-4-oxo-3-(phenylmethyl)-MFCD036558753-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylicacid3-benzyl-4-oxo-phthalazine-1-carboxylic AcidDTXSID70368386HMS1723C14RAA01549AKOS000114826
Show more names
Leniolisib Impurity 1
AT35108NCGC00318815-01NS-04595CS-0218428EN300-00930AB01312793-01Z19629925
Database identifiers
- CAS
16015-49-9- PubChem CID
- 2385994
- DTXSID
DTXSID70368386- EC Number
- 113-374-6
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Melting point
- 200 · 200-201 °C (decomp)
- Boiling point
- 512.9 · 512.9±43.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 1.23 · 1.23±0.20(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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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