Basic information
- CAS
57709-77-0- Standard SMILES
O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1ccccc1- InChIKey
QAXBJEHARAXYIA-UHFFFAOYSA-N- Molecular formula
- C20H13ClN2O
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.0716407
Names & identifiers
- Preferred name
- 4-(4-chlorophenyl)-2-phenyl-1(2H)-phthalazinone
- IUPAC
- 4-(4-chlorophenyl)-2-phenylphthalazin-1-one
- English name
- 4-(4-chlorophenyl)-2-phenyl-1(2H)-phthalazinone
- Molecular formula
- C20H13ClN2O
- Molecular weight
- 332.78
Names & synonyms
57709-77-04-(4-chlorophenyl)-2-phenylphthalazin-1(2H)-one4-(4-chlorophenyl)-2-phenyl-1(2H)-phthalazinone4-(4-chlorophenyl)-2-phenylphthalazin-1-oneMFCD00121435MLS000327587HMS550N08Maybridge1_003286Oprea1_4989691(2H)-Phthalazinone, 4-(4-chlorophenyl)-2-phenyl-CHEMBL13022624-(4-chlorophenyl)-2-phenyl-1,2-dihydrophthalazin-1-one
Show more names
4-(4-Chloro-phenyl)-2-phenyl-2H-phthalazin-1-one
DTXSID00384493HMS2405A16STK367402AKOS0021976894F-427SCCG-242009SMR000180535ST072006
Database identifiers
- CAS
57709-77-0- PubChem CID
- 2806471
- DTXSID
DTXSID00384493- ChEMBL
CHEMBL1302262- Nikkaji
- J2.978.299G
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 492
Physicochemical properties
- Melting point
- 164 · 164-165 °C
- Boiling point
- 498 · 498.0±47.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- -0.66 · -0.66±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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]
卡斯诺化工有限公司86-13710190520 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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