3,5-dimethoxyaniline

• ChemBase ID: 70217
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: Nc1cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(OC)cc(c1)N
• InChI: InChI=1S/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H3
• InChIKey: WNRGWPVJGDABME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethoxyaniline
• IUPAC Traditional name: 3,5-dimethoxyaniline
• Synonyms: 3,5-Dimethoxyaniline; 3,5-Dimethoxy aniline; 3,5-Dimethoxyaniline; 5-Aminoresorcinol dimethyl ether; 5-氨基间苯二酚二甲醚; 3,5-二甲氧基苯胺

Database IDs

• CAS Number: 10272-07-8
• EC Number: 233-616-5
• MDL Number: MFCD00008392
• Beilstein Number: 638013
• PubChem SID: 162035940; 24864064; 24893404
• PubChem CID: 66301

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.82453537
• LogD (pH = 7.4): 0.82892114
• Log P: 0.82897735
• Molar Refractivity: 43.6848 cm^3
• Polarizability: 16.504791 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 53-57°C; 54-56°C; 54-57 °C; 54-57 °C(lit.)
• Boiling Point: 178 °C/20 mmHg(lit.); 178°C/20mm; 178°C/20mm
• Flash Point: >110°C(230°F); 135 °C; 275 °F

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful/Light Sensitive
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-33; 22-36/37/38
• Safety Statements: 26-36; 28-36/37
• TSCA Listed: false; 是
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; H311-H302-H332-H373
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-P302+P352-P309-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (GC); 95+%; 97%; 98%
• Grade: purum
• Linear Formula: (CH3O)2C6H3NH2

DETAILS

MP Biomedicals - 05212027

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D130001

Packaging
5, 25 g in glass bottle

REFERENCES

• Has been recommended as the most suitable amine for the removal (by reaction) of benzeneselenenic acid released in selenoxide elimination reactions: Tetrahedron Lett., 23, 51 (1982); Synthesis, 683 (1982).