2,5-dimethoxyaniline

• ChemBase ID: 74382
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: Nc1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)N)OC
• InChI: InChI=1S/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3
• InChIKey: NAZDVUBIEPVUKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethoxyaniline
• IUPAC Traditional name: 2,5-dimethoxyaniline
• Synonyms: AMINOHYDROQUINONE DIMETHYL ETHER; Aminohydroquinone dimethyl ether; 2,5-Dimethoxyaniline; 2-Aminohydroquinone dimethyl ether; 2,5-Dimethoxyaniline; 氨基氢醌二甲醚; 2,5-二甲氧基苯胺

Database IDs

• CAS Number: 102-56-7
• EC Number: 203-040-9
• MDL Number: MFCD00008368
• Beilstein Number: 776823
• PubChem SID: 162039301; 24864050; 24847125
• PubChem CID: 7613

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8191934
• LogD (pH = 7.4): 0.8288528
• Log P: 0.82897735
• Molar Refractivity: 43.6848 cm^3
• Polarizability: 16.504839 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78-80 °C; 78-80 °C(lit.); 78-82°C; 78-82°C
• Boiling Point: 140°C/7mm; 140°C/7mm
• Flash Point: 130 °C; 130°C; 130°C(266°F); 266 °F

Safety Information

• Storage Warning: Toxic/Light Sensitive/Keep Cold/Store under Argon
• RTECS: BX4375000
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: 2811; UN2811
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 23/24/25-33; 25; R:22
• Safety Statements: 28-36/37-45; 45; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301; H301-H311-H331-H373
• GHS Precautionary statements: P280H-P302+P352-P309-P310; P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥97.0% (GC); 98%; 99+%
• Grade: technical
• Linear Formula: (CH3O)2C6H3NH2

DETAILS

MP Biomedicals - 05223008

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 112984

Packaging
250 g in glass bottle