2-ethoxyaniline

• ChemBase ID: 19504
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c1(c(OCC)cccc1)N
• Canonical SMILES: CCOc1ccccc1N
• InChI: InChI=1S/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3
• InChIKey: ULHFFAFDSSHFDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxyaniline
• IUPAC Traditional name: 2-ethoxyaniline
• Synonyms: 2-Ethoxyaniline; o-Phenetidine; 2-Ethoxyaniline; 2-Phenetidine; 2-Ethoxyaniline; o-Phenetidine; o-PHENETIDINE; 2-乙氧基苯胺; 邻氨基苯乙醚; 2-乙氧基苯胺; 邻乙氧基苯胺; 邻氨基苯乙醚

Database IDs

• CAS Number: 94-70-2
• EC Number: 202-356-4
• MDL Number: MFCD00007689
• Beilstein Number: 637069
• Merck Index: 147227
• PubChem SID: 160982811; 24887205
• PubChem CID: 7203

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3077753
• LogD (pH = 7.4): 1.3429884
• Log P: 1.3434565
• Molar Refractivity: 41.9702 cm^3
• Polarizability: 15.831177 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -4°C
• Boiling Point: 231-233 °C(lit.); 231-233°C; 236-238°C
• Flash Point: 110 °C; 230 °F; 80°C(176°F)
• Density: 1.050; 1.051 g/mL at 25 °C(lit.)
• Refractive Index: 1.5550; n20/D 1.555; n20/D 1.555(lit.)
• Vapor Pressure: 1 mmHg ( 67 °C)

Safety Information

• Storage Warning: Air & Light Sensitive; IRRITANT; Irritant
• RTECS: SI6465300
• European Hazard Symbols: Toxic (T)
• UN Number: 2311; UN2311
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 23/24/25-33
• Safety Statements: 28-36/37-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H331-H373; H301-H311-H331-H373-H227
• GHS Precautionary statements: P210-P260-P301+P310-P361-P405-P501A; P261-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2311 6.1/PG 3

Product Information

• Purity: ≥97.0% (GC); 95+%; 98%; 98+%
• Linear Formula: C2H5OC6H4NH2

DETAILS

MP Biomedicals - 05216618

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 77540

Packaging
1 L in glass bottle
250 mL in glass bottle