2-((4-Ethoxyphenyl)amino)-4-nitrobenzoic acid
Basic information
- CAS
74859-51-1- Standard SMILES
CCOc1ccc(Nc2cc([N+](=O)[O-])ccc2C(=O)O)cc1- InChIKey
DBRBTLBVIHPZLM-UHFFFAOYSA-N- Molecular formula
- C15H14N2O5
- Average molar mass
- 302.28 g/mol
- Monoisotopic mass
- 302.09027155
Overview
See also: N-(4-Ethoxyphenyl)-4-nitroanthranilic acid (annotation moved to).
Names & identifiers
- Preferred name
- 2-((4-Ethoxyphenyl)amino)-4-nitrobenzoic acid
- IUPAC
- 2-(4-ethoxyanilino)-4-nitrobenzoic acid
- English name
- 2-((4-Ethoxyphenyl)amino)-4-nitrobenzoic acid
- Molecular formula
- C15H14N2O5
- Molecular weight
- 302.28
Names & synonyms
74859-51-12-((4-ETHOXYPHENYL)AMINO)-4-NITROBENZOIC ACID2-[(4-ethoxyphenyl)amino]-4-nitrobenzoic acid2-(4-ethoxyanilino)-4-nitrobenzoic acidMFCD00024723Benzoic acid, 2-[(4-ethoxyphenyl)amino]-4-nitro-2-((4-Ethoxyphenyl)amino)-4-nitrobenzoicacidNSC163287Chloroprocaine Impurity 38SCHEMBL7921359SCHEMBL30310174DTXSID90303890
Show more names
2-(4-ethoxyanilino)-4-nitrobenzoicaciN-(4-ETHOXYPHENYL)-4-NITROANTHRANILIC ACIDAlanyl Glutamine Impurity 10 Trifluoroacetate
ALBB-026090SBB072842AKOS003388540NSC-163287LS-08833SY3742632-(4-ethoxyanilino)-4-nitro-benzoic acidCS-0319465
Database identifiers
- CAS
74859-51-1- PubChem CID
- 294552
- DTXSID
DTXSID90303890
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Melting point
- 233 · 233-234 °C
- Boiling point
- 479.2 · 479.2±45.0 °C(Predicted)
- Density
- 1.371 · 1.371±0.06 g/cm3(Predicted)
- pka
- 2.28 · 2.28±0.32(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335-H413
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H302-H335-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
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Upstream raw materials
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