4-(2-phenyldiazen-1-yl)benzene-1,3-diol

• ChemBase ID: 104653
• Molecular Formular: C12H10N2O2
• Molecular Mass: 214.22
• Monoisotopic Mass: 214.07422757
• SMILES: Oc1cc(O)c(cc1)/N=N/c1ccccc1
• Canonical SMILES: Oc1ccc(c(c1)O)/N=N/c1ccccc1
• InChI: InChI=1S/C12H10N2O2/c15-10-6-7-11(12(16)8-10)14-13-9-4-2-1-3-5-9/h1-8,15-16H
• InChIKey: BPTKLSBRRJFNHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-phenyldiazen-1-yl)benzene-1,3-diol
• IUPAC Traditional name: 4-(2-phenyldiazen-1-yl)benzene-1,3-diol
• Synonyms: p-PHENYLAZORESORCINOL; SOG; 2,4-Dihydroxyazobenzene; 4-(Phenylazo)resorcinol; Sudan Orange G; SUDAN ORANGE G; 2,4-二羟基偶氮苯; 4-苯偶氮基间苯二酚; 苏丹橙 G

Database IDs

• CAS Number: 2051-85-6
• EC Number: 218-131-9
• MDL Number: MFCD00002275
• Beilstein Number: 958430
• PubChem SID: 162091801; 24851933; 24884039
• PubChem CID: 5921655
• Color Index Number: 11920

CALCULATED PROPERTIES

• Acid pKa: 8.543284
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.7716172
• LogD (pH = 7.4): 3.7420616
• Log P: 3.772009
• Molar Refractivity: 64.3388 cm^3
• Polarizability: 22.771315 Å^3
• Polar Surface Area: 65.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143-146 °C(lit.)
• Absorption Wavelength: absorption 388 nm(lit.); λmax 388 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: CZ9027500
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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: ≥96.0% (HPLC); ≥97% (HPLC); Dye Content ~95%
• Grade: analytical standard
• Compostion: Dye content, 85%
• Linear Formula: C6H5N=NC6H3-1,3-(OH)2

DETAILS

MP Biomedicals - 02156704

C.I. 11920
(Solvent Orange 1; 4-[Phenylazo]-
resorcinol)
Dye content: ~ 95%

MP Biomedicals - 05202997

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 31748

Packaging
1 kg in poly bottle
25 g in poly bottle

Sigma Aldrich - 199672

Packaging
25 g in glass bottle