Ethanol, 2-((4-methoxy-2-nitrophenyl)amino)-
Basic information
- CAS
57524-53-5- Standard SMILES
COc1ccc(NCCO)c([N+](=O)[O-])c1- InChIKey
WCBLXRCPLCDWCS-UHFFFAOYSA-N- Molecular formula
- C9H12N2O4
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.07970687
Names & identifiers
- Preferred name
- Ethanol, 2-((4-methoxy-2-nitrophenyl)amino)-
- IUPAC
- 2-(4-methoxy-2-nitroanilino)ethanol
- English name
- 2-NITRO-N-HYDROXYETHYL-p-ANISIDINE
- Molecular formula
- C9H12N2O4
- Molecular weight
- 212.2
Names & synonyms
2-Nitro-N-hydroxyethyl-p-anisidineETHANOL, 2-((4-METHOXY-2-NITROPHENYL)AMINO)-BRN 2116308UNII-QLU9DI152HQLU9DI152HIMEXINE FE2-((4-Methoxy-2-nitrophenyl)amino)ethanol4-N-beta-Hydroxyethyl-amino-3-nitroanisoleDTXSID70206133N-(2-HYDROXYETHYL)-2-NITRO-P-ANISIDINE2-((2-NITRO-4-METHOXYPHENYL)AMINO)ETHANOL4-METHOXY-N-(.BETA.-HYDROXYETHYL)-O-NITROANILINE
Show more names
2-[(4-Methoxy-2-nitrophenyl)amino]ethanolEthanol, 2-[(4-methoxy-2-nitrophenyl)amino]-
RefChem:200830DTXCID701286242-NITRO-N-HYDROXYETHYL-P-ANISIDINE [INCI]4-METHOXY-N-(BETA-HYDROXYETHYL)-O-NITROANILINE57524-53-52-((4-Methoxy-2-nitrophenyl)amino)ethan-1-olSCHEMBL1009970WCBLXRCPLCDWCS-UHFFFAOYSA-N
Database identifiers
- CAS
57524-53-5- PubChem CID
- 42394
- DTXSID
DTXSID70206133- UNII
- QLU9DI152H
- Nikkaji
- J78.153C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Experimental & physicochemical properties
CosmeticsHair dyeing
Physicochemical properties
- Melting point
- 90 · 90-92 °C
- Boiling point
- 424.5 · 424.5±40.0 °C(Predicted)
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- pka
- 14.61 · 14.61±0.10(Predicted)
- Cosmetics Ingredients Functions
- HAIR DYEING
- EWG's Food Scores
- 1 · 1-4
- FDA UNII
- 9 DI152H · QLU9DI152H
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Ethanol, 2-[(4-methoxy-2-nitrophenyl)amino]-
Other Safety InformationIMAP assessments - Ethanol, 2-[(4-methoxy-2-nitrophenyl)amino]-: Environment tier I assessment
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Hair dyeing
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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