Basic information
- CAS
78431-26-2- Standard SMILES
CCc1cccc(C)c1NC(=O)c1ccccc1C(=O)O- InChIKey
HOLOWUHANUEGLO-UHFFFAOYSA-N- Molecular formula
- C17H17NO3
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.1208434
Names & identifiers
- Preferred name
- 2-((2-Ethyl-6-methylanilino)carbonyl)benzoic acid
- IUPAC
- 2-[(2-ethyl-6-methylphenyl)carbamoyl]benzoic acid
- English name
- 2-{[(2-ethyl-6-methylphenyl)amino]carbonyl}benzoic acid
- Molecular formula
- C17H17NO3
- Molecular weight
- 283.32
Names & synonyms
2-((2-ETHYL-6-METHYLANILINO)CARBONYL)BENZOIC ACID2-[(2-ethyl-6-methylanilino)carbonyl]benzoic acidRefChem:447750665-118-22-[(2-ethyl-6-methylphenyl)carbamoyl]benzoic acid78431-26-2AN-329/43201234DTXSID00406866STL064730AKOS000499581ST450475672-[N-(6-ethyl-2-methylphenyl)carbamoyl]benzoic acid
Show more names
2-{[(2-ethyl-6-methylphenyl)amino]carbonyl}benzoic acidBenzoic acid, 2-[[(2-ethyl-6-methylphenyl)amino]carbonyl]-
Database identifiers
- CAS
78431-26-2- PubChem CID
- 4936088
- DTXSID
DTXSID00406866- EC Number
- 665-118-2
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Boiling point
- 390.2 · 390.2±42.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- pka
- 3.45 · 3.45±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H319
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
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
- H400-H319
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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