1,2-dimethoxy-4-nitrobenzene

• ChemBase ID: 82218
• Molecular Formular: C8H9NO4
• Molecular Mass: 183.16136
• Monoisotopic Mass: 183.05315777
• SMILES: [N+](=O)(c1cc(c(cc1)OC)OC)[O-]
• Canonical SMILES: COc1cc(ccc1OC)[N+](=O)[O-]
• InChI: InChI=1S/C8H9NO4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3
• InChIKey: YFWBUVZWCBFSQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethoxy-4-nitrobenzene
• IUPAC Traditional name: 1,2-dimethoxy-4-nitrobenzene
• Synonyms: 4-Nitroveratrole,1,2-Dimethoxy-4-nitrobenzene; 3,4-Dimethoxynitrobenzene; 4-NITRO-1,2-DIMETHOXYBENZENE; 4-Nitroveratrole; 4-Nitroveratrole; 1,2-Dimethoxy-4-nitrobenzene; 1,2-Dimethoxy-4-nitro-benzene; 1,2-Dimethoxy-4-nitrobenzene; 3,4-Dimethoxynitrobenzene; 4-Nitro-1,2-dimethoxybenzene; NSC 10116; NSC 27974; NSC 93382; 4-Nitro-veratrole; 4-硝基藜芦醚; 1,2-二甲氧基-4-硝基苯

Database IDs

• CAS Number: 709-09-1
• EC Number: 211-906-2
• MDL Number: MFCD00007238
• Beilstein Number: 1878614
• PubChem SID: 162069337; 24893267
• PubChem CID: 69728

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5978875
• LogD (pH = 7.4): 1.5978875
• Log P: 1.5978875
• Molar Refractivity: 45.3049 cm^3
• Polarizability: 17.303974 Å^3
• Polar Surface Area: 61.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95-98 °C(lit.); 95-98°C; 95-98°C
• Boiling Point: 221-223°C/10mm; 230 °C/17 mmHg(lit.); 230°C/17mm

Safety Information

• Storage Warning: Harmful
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301; H302
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98+%; 99%
• Linear Formula: (CH3O)2C6H3NO2

DETAILS

MP Biomedicals - 05209163

MP Biomedicals Rare Chemical collection