2,4-dimethoxyaniline

• ChemBase ID: 75209
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: O(c1cc(c(cc1)N)OC)C
• Canonical SMILES: COc1ccc(c(c1)OC)N
• InChI: InChI=1S/C8H11NO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,9H2,1-2H3
• InChIKey: GEQNZVKIDIPGCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxyaniline
• IUPAC Traditional name: 2,4-dimethoxyaniline
• Synonyms: 2,4-Dimethoxyaniline; 2,4-Dimethoxyaniline; 2,4-二甲氧基苯胺

Database IDs

• CAS Number: 2735-04-8
• EC Number: 220-355-7
• MDL Number: MFCD00008371
• Beilstein Number: 638704
• PubChem SID: 24893403; 162040127
• PubChem CID: 17652

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7040592
• LogD (pH = 7.4): 0.8271556
• Log P: 0.82897735
• Molar Refractivity: 43.6848 cm^3
• Polarizability: 16.504578 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32-37°C; 33-36 °C; 33-36 °C(lit.); 33-36°C°C
• Flash Point: >110°C(230°F); 109 °C; 109°C°C; 228.2 °F
• Density: 1.075; 1.075 g/mL at 25 °C(lit.)

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under inert gas
• RTECS: BX4200000
• 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: 是
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; H311-H331-H302-H373
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-P302+P352-P309-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥97.0% (GC); 97%; 98%
• Grade: technical
• Linear Formula: (CH3O)2C6H3NH2

DETAILS

Sigma Aldrich - D129801

Packaging
100 g in glass bottle