2-[2-(2-hydroxyphenyl)diazen-1-yl]phenol

• ChemBase ID: 111761
• Molecular Formular: C12H10N2O2
• Molecular Mass: 214.22
• Monoisotopic Mass: 214.07422757
• SMILES: Oc1ccccc1/N=N/c1ccccc1O
• Canonical SMILES: Oc1ccccc1/N=N/c1ccccc1O
• InChI: InChI=1S/C12H10N2O2/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16/h1-8,15-16H
• InChIKey: JFEVWPNAOCPRHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-hydroxyphenyl)diazen-1-yl]phenol
• IUPAC Traditional name: 2-[2-(2-hydroxyphenyl)diazen-1-yl]phenol
• Synonyms: o,o'-DIHYDROXYAZOBENZENE; 2,2′-Azodiphenol; 2,2′-Dihydroxyazobenzene; 2,2′-羟基偶氮苯; 2,2′-二羟基偶氮苯

Database IDs

• CAS Number: 2050-14-8
• EC Number: 218-082-3
• MDL Number: MFCD00002182
• PubChem SID: 24858211; 162096713
• PubChem CID: 5368855

CALCULATED PROPERTIES

• Acid pKa: 7.714429
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.7693865
• LogD (pH = 7.4): 3.6019602
• Log P: 3.772009
• Molar Refractivity: 64.3388 cm^3
• Polarizability: 22.774073 Å^3
• Polar Surface Area: 65.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 170°C; 173-175 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36/37/39; S:20-25-26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: HOC6H4N=NC6H4OH

DETAILS

MP Biomedicals - 05220823

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 301787

Packaging
1 g in glass bottle