2-methyl-4-{2-[4-(2-phenyldiazen-1-yl)phenyl]diazen-1-yl}phenyl 2-methylprop-2-enoate

• ChemBase ID: 153029
• Molecular Formular: C23H20N4O2
• Molecular Mass: 384.4305
• Monoisotopic Mass: 384.1586259
• SMILES: Cc1cc(ccc1OC(=O)C(=C)C)/N=N/c1ccc(cc1)/N=N/c1ccccc1
• Canonical SMILES: CC(=C)C(=O)Oc1ccc(cc1C)/N=N/c1ccc(cc1)/N=N/c1ccccc1
• InChI: InChI=1S/C23H20N4O2/c1-16(2)23(28)29-22-14-13-21(15-17(22)3)27-26-20-11-9-19(10-12-20)25-24-18-7-5-4-6-8-18/h4-15H,1H2,2-3H3
• InChIKey: NLSOMFRHHRRNDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-{2-[4-(2-phenyldiazen-1-yl)phenyl]diazen-1-yl}phenyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-methyl-4-{2-[4-(2-phenyldiazen-1-yl)phenyl]diazen-1-yl}phenyl 2-methylprop-2-enoate
• Synonyms: Disperse Yellow 7 methacrylate; 分散黄 7 甲基丙烯酸酯

Database IDs

• CAS Number: 480425-25-0
• MDL Number: MFCD04974091
• PubChem SID: 162247169; 24880967
• PubChem CID: 3508169

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 8.290888
• LogD (pH = 7.4): 8.290893
• Log P: 8.290893
• Molar Refractivity: 119.8744 cm^3
• Polarizability: 42.42975 Å^3
• Polar Surface Area: 75.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 132.7-135.8 °C(lit.)
• Absorption Wavelength: λmax 364 nm

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 37/38-41
• Safety Statements: 26-36/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Linear Formula: C6H5N=NC6H4N=NC6H3(CH3)OCOC(CH3)=CH2

DETAILS

Sigma Aldrich - 579033

General description
NLO material
Packaging
1 g in glass bottle
250 mg in glass bottle