Basic information
- CAS
152567-94-7- Standard SMILES
O=C(O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1- InChIKey
GPMAGXCWKPUWCA-UHFFFAOYSA-N- Molecular formula
- C15H10N2O3
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.06914219
Names & identifiers
- Preferred name
- 4-(4-Carboxyphenyl)phthalazin-1(2H)-one
- IUPAC
- 4-(4-oxo-3H-phthalazin-1-yl)benzoic acid
- English name
- 4-(4-hydroxyphthalazin-1-yl)benzoic acid
- Molecular formula
- C15H10N2O3
- Molecular weight
- 266.25
Names & synonyms
152567-94-74-(4-CARBOXYPHENYL)PHTHALAZIN-1(2H)-ONERefChem:514003668-115-44-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoic acid4-(4-oxo-3H-phthalazin-1-yl)benzoic acidCBMicro_049613ChemDiv2_000377Cambridge id 6039131SCHEMBL12326463HMS1370B03HTS08221
Show more names
4-(4-hydroxyphthalazin-1-yl)benzoic acidBenzoic acid, 4-(3,4-dihydro-4-oxo-1-phthalazinyl)-
CCG-17060STK083589AKOS005208774AKOS005392533ST109210BIM-0049638.P0014-(4-oxo-3-hydrophthalazinyl)benzoic acidST4056341
Database identifiers
- CAS
152567-94-7- PubChem CID
- 686231
- EC Number
- 668-115-4
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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