N-(2-Ethylphenyl)phthalamic acid
Basic information
- CAS
19336-72-2- Standard SMILES
CCc1ccccc1NC(=O)c1ccccc1C(=O)O- InChIKey
UGHWNDCTPULXGI-UHFFFAOYSA-N- Molecular formula
- C16H15NO3
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10519334
Names & identifiers
- Preferred name
- N-(2-Ethylphenyl)phthalamic acid
- IUPAC
- 2-[(2-ethylphenyl)carbamoyl]benzoic acid
- English name
- N-(2-Ethyl-phenyl)-phthalaMic acid
- Molecular formula
- C16H15NO3
- Molecular weight
- 269.3
Names & synonyms
N-(2-ETHYLPHENYL)PHTHALAMIC ACID2-[[(2-Ethylphenyl)amino]carbonyl]benzoic acid2-(((2-Ethylphenyl)amino)carbonyl)benzoic acidRefChem:825380668-478-92-[(2-ethylphenyl)carbamoyl]benzoic acid19336-72-22-((2-Ethylphenyl)carbamoyl)benzoic acidCBDivE_004176Oprea1_277782Oprea1_551663SCHEMBL23643039
Show more names
Reaxys ID: 26859219N-(2-Ethyl-phenyl)-phthalaMic acid2-(2-EthylphenylcarbaMoyl)benzoic acid, 97%Benzoic acid, 2-[[(2-ethylphenyl)amino]carbonyl]-
DTXSID101247446HTS25987STK371227AKOS0029809472-((2-Ethylphenyl)carbamoyl)benzoicacid2-[(2-ethylanilino)carbonyl]benzoicacidCS-0336643AB00074468-01
Database identifiers
- CAS
19336-72-2- PubChem CID
- 786597
- DTXSID
DTXSID101247446- EC Number
- 668-478-9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Boiling point
- 383 · 383.0±35.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- pka
- 3.45 · 3.45±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H400
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H400
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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