Basic information
- CAS
307339-36-2- Standard SMILES
NC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1- InChIKey
NFSYYODESQQPSX-UHFFFAOYSA-N- Molecular formula
- C15H12N2O4
- Average molar mass
- 284.27 g/mol
- Monoisotopic mass
- 284.07970687
Names & identifiers
- Preferred name
- 2-((4-(Aminocarbonyl)anilino)carbonyl)benzoic acid
- IUPAC
- 2-[(4-carbamoylphenyl)carbamoyl]benzoic acid
- English name
- 2-{[4-(aminocarbonyl)anilino]carbonyl}benzoic acid
- Molecular formula
- C15H12N2O4
- Molecular weight
- 284.27
Names & synonyms
2-{[4-(aminocarbonyl)anilino]carbonyl}benzoic acid2-((4-(Aminocarbonyl)anilino)carbonyl)benzoic acidRefChem:448597665-117-72-[(4-carbamoylphenyl)carbamoyl]benzoic acid307339-36-22-((4-Carbamoylphenyl)carbamoyl)benzoic acidCBMicro_014405Oprea1_016814Oprea1_238227SCHEMBL18132521DTXSID80352094
Show more names
2-({[4-(aminocarbonyl)phenyl]amino}carbonyl)benzoic acidBenzoic acid, 2-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-
HMS1678K12SMSF0004877STK025811AKOS000487216CB11303ST027860BIM-0014411.P001CS-0323690
Database identifiers
- CAS
307339-36-2- PubChem CID
- 718779
- DTXSID
DTXSID80352094- EC Number
- 665-117-7
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers4 total
ARONIS[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
MATRIX[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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