4-aminophenol hydrochloride

• ChemBase ID: 104108
• Molecular Formular: C6H8ClNO
• Molecular Mass: 145.58682
• Monoisotopic Mass: 145.02944156
• SMILES: Cl.Nc1ccc(O)cc1
• Canonical SMILES: Nc1ccc(cc1)O.Cl
• InChI: InChI=1S/C6H7NO.ClH/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;1H
• InChIKey: RVGOBWDGAVAVPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminophenol hydrochloride
• IUPAC Traditional name: aminophenol hydrochloride
• Synonyms: 4-Aminophenol hydrochloride; p-AMINOPHENOL HYDROCHLORIDE; 4-Hydroxyaniline hydrochloride; 4-Hydroxyaniline; 4-AMINOPHENOL; 对羟基苯胺 盐酸盐; 4-氨基苯酚 盐酸盐

Database IDs

• CAS Number: 51-78-5
• EC Number: 200-122-6
• MDL Number: MFCD00012996
• Beilstein Number: 3911747
• PubChem SID: 24891061; 162090768
• PubChem CID: 5828

CALCULATED PROPERTIES

• Acid pKa: 10.399948
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.57626426
• LogD (pH = 7.4): 0.8355824
• Log P: 0.84075457
• Molar Refractivity: 32.7393 cm^3
• Polarizability: 12.069466 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: gray powder
• Melting Point: 300-305 °C (dec.); 300-305 °C (dec.)(lit.); 305°C
• Boiling Point: 290-295°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: SJ6070000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36/37/38-43; R:20/22-48-50/53
• Safety Statements: 28-36; S:28-36/37-60-61
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥99.0% (AT)
• Grade: for photographic purposes
• Linear Formula: H2NC6H4OH · HCl

DETAILS

MP Biomedicals - 05203974

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02154761

(4-Hydroxyaniline) Hydrochloride Gray powder.

Sigma Aldrich - 09170

Application
4-Aminophenol hydrochloride can be used to study cell biology, bioactive small molecules, chemical synthesis, organic building blocks, oxygen compounds and phenols. 4-Aminophenol hydrochloride has been used to study ferrihemoglobin and kidney lesions in rats.