4-[(2-Hydroxyethyl)amino]-3-nitrophenol
Basic information
- CAS
65235-31-6- Standard SMILES
O=[N+]([O-])c1cc(O)ccc1NCCO- InChIKey
UXKLYBMQAHYULT-UHFFFAOYSA-N- Molecular formula
- C8H10N2O4
- Average molar mass
- 198.18 g/mol
- Monoisotopic mass
- 198.0640568
Names & identifiers
- Preferred name
- 4-[(2-Hydroxyethyl)amino]-3-nitrophenol
- IUPAC
- 4-(2-hydroxyethylamino)-3-nitrophenol
- English name
- 4-((2-Hydroxyethyl)amino)-3-nitrophenol
- Molecular formula
- C8H10N2O4
- Molecular weight
- 198.18
Names & synonyms
4-((2-Hydroxyethyl)amino)-3-nitrophenol4-[(2-HYDROXYETHYL)AMINO]-3-NITROPHENOL3-Nitro-p-hydroxyethylaminophenolUNII-AIP2J155ANEINECS 265-648-0AIP2J155ANJAROCOL NHEAPIMEXINE FHRODOL HENPCOLOREX RED 54DTXSID002155363-NITRO-4-.BETA.-HYDROXYETHYLAMINOPHENOL
Show more names
Red B54HC RED B54Hc Red 54Adrenaline Impurity 97Aminophenol (3,4-isomer)3-NITRO-4-HYDROXYETHYLPHENOL4-((2-Hydroxyethyl)amino)-3-ni3itroN-Hydroxyethyl)Aminophenol
HYDROXYETHYL-AMINO-3-NITROPHENOL, 4-N-BETA-3-NITRO-4-N-(.BETA.-HYDROXYETHYL)AMINOPHENOLRefChem:96846DTXCID301380273-NITRO-4-BETA-HYDROXYETHYLAMINOPHENOL3-NITRO-P-HYDROXYETHYLAMINOPHENOL [INCI]3-NITRO-4-N-(BETA-HYDROXYETHYL)AMINOPHENOL65235-31-6
Database identifiers
- CAS
65235-31-6- PubChem CID
- 5488102
- DTXSID
DTXSID00215536- UNII
- AIP2J155AN
- EC Number
- 265-648-0
- Nikkaji
- J307.347E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (3-Nitro-p-Hydroxyethylaminophenol) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
Physicochemical properties
- Melting point
- 142 · 142-146℃
- Boiling point
- 446.3 · 446.3±45.0 °C(Predicted)
- Density
- 1.488 · 1.488±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 9.31 · 9.31±0.14(Predicted)
- Cosmetics Ingredients Functions
- HAIR DYEING
- Cosmetic Ingredient Review (CIR)
- 4 · 4-((2-Hydroxyethyl)amino)-3-nitrophenol (65235-31-6)
- LogP
- 1.38 · 1.380 (est)
- CAS DataBase Reference
- 65235 · 65235-31-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-4
- FDA UNII
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
H302 (33.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
Hazard information
Regulatory Information
Chemical: Phenol, 4-[(2-hydroxyethyl)amino]-3-nitro-
4-((2-Hydroxyethyl)amino)-3-nitrophenol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Phenol, 4-[(2-hydroxyethyl)amino]-3-nitro-: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (33.8%)
Skin sensitisation - category 1
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: 3-Nitro-p-Hydroxyethylaminophenol
Use ClassificationCosmetics -> Hair dyeing
Related reactions
1 records
Compound notes
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