O-phenylhydroxylamine hydrochloride

• ChemBase ID: 152747
• Molecular Formular: C6H8ClNO
• Molecular Mass: 145.58682
• Monoisotopic Mass: 145.02944156
• SMILES: c1ccc(cc1)ON.Cl
• Canonical SMILES: NOc1ccccc1.Cl
• InChI: InChI=1S/C6H7NO.ClH/c7-8-6-4-2-1-3-5-6;/h1-5H,7H2;1H
• InChIKey: DBTXKJJSFWZJNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-phenylhydroxylamine hydrochloride
• IUPAC Traditional name: O-aminophenol hydrochloride
• Synonyms: Phenoxyamine hydrochloride; O-Phenylhydroxylamine hydrochloride; 苯氧胺 盐酸盐; O-苯基羟胺 盐酸盐

Database IDs

• CAS Number: 6092-80-4
• EC Number: 228-039-0
• MDL Number: MFCD00043271
• Beilstein Number: 4326059
• PubChem SID: 162246890; 24887339
• PubChem CID: 6365179

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2906338
• LogD (pH = 7.4): 1.2953621
• Log P: 1.2954228
• Molar Refractivity: 32.1086 cm^3
• Polarizability: 12.529529 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~132 °C (dec.)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25
• Safety Statements: 45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (AT)
• Shipped in: wet ice
• Linear Formula: C6H5ONH2 · HCl

DETAILS

Sigma Aldrich - 78725

Packaging
1 g in glass bottle