2-methoxyaniline

• ChemBase ID: 70083
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: Nc1c(cccc1)OC
• Canonical SMILES: COc1ccccc1N
• InChI: InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
• InChIKey: VMPITZXILSNTON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyaniline
• IUPAC Traditional name: O-anisidine
• Synonyms: o-AMINOANISOLE; Poly(2-methoxyaniline), emeraldine salt from hydrochloric acid; Poly(2-methoxyaniline), emeraldine base; 2-Methoxyaniline; 2-Aminoanisole; 2-Methoxyaniline; o-Anisidine; 2-anisidine; ortho-aminoanisole; o-methoxyaniline; 2-methoxy-1-aminobenzene; 2-methoxyphenylamine; O-Anisidine; 聚(2-甲氧基苯胺), 由盐酸得到的苯胺绿盐; 聚(2-甲氧基苯胺), 苯胺绿基; 2-氨基苯甲醚; 2-甲氧基苯胺; 邻茴香胺

Database IDs

• CAS Number: 90-04-0
• EC Number: 201-963-1
• MDL Number: MFCD00007688; MFCD02688594; MFCD02688595
• Beilstein Number: 386210
• Merck Index: 14667
• PubChem SID: 162035808; 24869734; 24891370; 24846669
• PubChem CID: 7000
• Chemspider ID: 13860775
• KEGG ID: C19191
• Wikipedia Title: O-Anisidine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.95186734
• LogD (pH = 7.4): 0.98619276
• Log P: 0.9866486
• Molar Refractivity: 37.2216 cm^3
• Polarizability: 13.987187 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1.5 g/100 ml in water; soluble in ethanol, diethyl ether, acetone, benzene
• Apperance: Powder; Yellow liquid turns brown upon exposure to air
• Melting Point: 3-6 °C(lit.); 5-6°C; 6.2°C
• Boiling Point: 224°C; 224-225°C; 225 °C(lit.)
• Flash Point: 100 °C; 118°C (244.4°F) (open cup); 212 °F; 98°C(208°F)
• Auto Ignition Point: 415°C (779°F)
• Density: 1.092; 1.092 g/ml; 1.092 g/mL at 25 °C(lit.)
• Refractive Index: 1.5740; n20/D 1.574(lit.); n20/D 1.575

Safety Information

• Storage Warning: IRRITANT; Light Sensitive
• RTECS: BZ5410000
• European Hazard Symbols: Carc2; Muta3; Toxic (T); Irritant (Xi)
• UN Number: 2431; UN2431
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 36/37/38-43; 45-23/24/25-68; R45, R23/24/25, R68
• Safety Statements: 24-26-37; 53-45; S53, S45
• TSCA Listed: false; 否; 是
• EU Index: 612-035-00-4
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  1

  2

  0
• GHS Hazard statements: H301-H311-H331-H341-H350; H301-H311-H331-H350-H341; H315-H319-H317-H335
• GHS Precautionary statements: P201-P261-P280-P301 + P310-P311; P201-P309-P310; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2431 6.1/PG 3

Product Information

• Purity: ≥97.0% (GC); ≥99%; 95+%; 98%; 99%
• Grade: analytical standard, for environmental analysis; technical
• Linear Formula: CH3OC6H4NH2

DETAILS

MP Biomedicals - 05210724

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A88182

Packaging
5, 100, 500 g in glass bottle

Sigma Aldrich - 31597

Caution
Restricted to professional users. Attention - Avoid exposure - obtain special instructions before use.