1-methoxy-4-[1-(4-methoxyphenyl)-1-oxo-1$l^{5},2-diazen-2-yl]benzene

• ChemBase ID: 110094
• Molecular Formular: C14H14N2O3
• Molecular Mass: 258.27256
• Monoisotopic Mass: 258.10044232
• SMILES: COc1ccc(cc1)/N=[N+](\[O-])/c1ccc(OC)cc1
• Canonical SMILES: COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-]
• InChI: InChI=1S/C14H14N2O3/c1-18-13-7-3-11(4-8-13)15-16(17)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3
• InChIKey: KAEZRSFWWCTVNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-4-[1-(4-methoxyphenyl)-1-oxo-1$l^{5},2-diazen-2-yl]benzene; (NZ,Z)-4-methoxy-N-[(4-methoxyphenyl)imino]benzen-1-imine oxide; 4-methoxy-N-[(4-methoxyphenyl)imino]benzen-1-imine oxide
• IUPAC Traditional name: 4,4'-dimethoxyazoxybenzene; para-azoxyanisole
• Synonyms: p-AZOXYANISOLE; p-Azoxyanisole; Para-Azoxyanisole; 4,4′-Azoxydianisole; 4,4′-Dimethoxyazoxybenzene; 4,4′-Azoxyanisole; 4,4'-二甲氧基氧化偶氮苯; 4,4′-氧化偶氮二苯甲醚; 4,4'-偶氮二苯甲醚

Database IDs

• CAS Number: 1562-94-3
• EC Number: 216-348-3
• MDL Number: MFCD00008400
• Beilstein Number: 752723
• PubChem SID: 24891488; 162095853
• PubChem CID: 15277
• Chemspider ID: 14542
• Wikipedia Title: Para-Azoxyanisole

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5948
• LogD (pH = 7.4): 2.5948
• Log P: 2.5948
• Molar Refractivity: 74.0505 cm^3
• Polarizability: 27.07455 Å^3
• Polar Surface Area: 59.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114.9°C; 117-119 °C(lit.)
• Boiling Point: 417.9°C @ 760mmHg
• Flash Point: 206.6°C
• Density: 1.14g/cm3
• Transition Temperature: crystalline phase to nematic phase 118 °C; nematic phase to isotropic phase 136 °C

Safety Information

• RTECS: HM2966500
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: R:22
• Safety Statements: S:36/37/39
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: CH3OC6H4N=N(O)C6H4OCH3

DETAILS

MP Biomedicals - 05213724

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A97009

Packaging
10 g in glass bottle