4-[(E)-2-phenyldiazen-1-yl]phenol

• ChemBase ID: 104627
• Molecular Formular: C12H10N2O
• Molecular Mass: 198.2206
• Monoisotopic Mass: 198.07931295
• SMILES: Oc1ccc(cc1)/N=N/c1ccccc1
• Canonical SMILES: Oc1ccc(cc1)/N=N/c1ccccc1
• InChI: InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H
• InChIKey: BEYOBVMPDRKTNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(E)-2-phenyldiazen-1-yl]phenol; 4-(2-phenyldiazen-1-yl)phenol
• IUPAC Traditional name: P-phenylazophenol; 4-(2-phenyldiazen-1-yl)phenol
• Synonyms: 4-BENZENEAZOPHENOL; 4-(Phenyldiazenyl)phenol; C.I. 11800; 4-Hydroxyazobenzene; Solvent Yellow 7; 4-Phenylazophenol; SOLVENT YELLOW 7; 4-苯偶氮基苯酚

Database IDs

• CAS Number: 7589-27-7; 1689-82-3
• EC Number: 216-880-6
• MDL Number: MFCD00002330
• Beilstein Number: 957567
• PubChem SID: 24847992; 162091907
• PubChem CID: 5354198
• Color Index Number: 11800

CALCULATED PROPERTIES

• Acid pKa: 8.410146
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.0750365
• LogD (pH = 7.4): 4.0353646
• Log P: 4.0755744
• Molar Refractivity: 62.3579 cm^3
• Polarizability: 22.168278 Å^3
• Polar Surface Area: 44.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150-152 °C(lit.); 152-155 °C; 152-155°C
• Absorption Wavelength: λmax 347 nm

Safety Information

• RTECS: SM8300000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... ESR1(2099)

Product Information

• Purity: ≥90% (HPLC); 98%; Dye Content ~98%
• Grade: adsorption indicator; technical
• Linear Formula: C6H5N=NC6H4OH

DETAILS

MP Biomedicals - 02156639

C.I. 11800
(p-Phenylazophenol)
Dye content: ∼ 98%

MP Biomedicals - 05209997

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 131083

Packaging
25, 100 g in glass bottle