N-ethylaniline

• ChemBase ID: 92394
• Molecular Formular: C8H11N
• Molecular Mass: 121.17964
• Monoisotopic Mass: 121.08914936
• SMILES: N(c1ccccc1)CC
• Canonical SMILES: CCNc1ccccc1
• InChI: InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
• InChIKey: OJGMBLNIHDZDGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylaniline
• IUPAC Traditional name: ethylaniline
• Synonyms: Monoethylaniline; N-Ethylaniline; N-Ethylaniline; ethylphenylamine; N-Phenylethylamine; 乙苯胺; N-乙基苯胺

Database IDs

• CAS Number: 103-69-5
• EC Number: 203-135-5
• MDL Number: MFCD00009025
• Beilstein Number: 507468
• Merck Index: 143764
• PubChem SID: 162079092; 24866700
• PubChem CID: 7670

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7028892
• LogD (pH = 7.4): 1.8014184
• Log P: 1.8028319
• Molar Refractivity: 41.0004 cm^3
• Polarizability: 15.190914 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -63 °C(lit.); -64°C
• Boiling Point: 204-205°C; 205 °C(lit.)
• Flash Point: 185 °F; 85 °C; 85°C(185°F)
• Density: 0.961; 0.963 g/mL at 25 °C(lit.)
• Refractive Index: 1.5540; n20/D 1.554; n20/D 1.554(lit.)
• Vapor Pressure: 0.2 mmHg ( 25 °C)
• Vapor Density: 4.2 (vs air)

Safety Information

• Storage Warning: Air & Light Sensitive; Toxic
• RTECS: BX9780000
• European Hazard Symbols: Toxic (T)
• UN Number: 2272; UN2272
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 23/24/25-33
• Safety Statements: 1/2-28-37-45; 28-37-45
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• Explode Limits: 9.5 %
• 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 2272 6.1/PG 3

Product Information

• Purity: ≥98.0% (GC); ≥99.0% (GC); 97%; 98%
• Grade: puriss.; technical
• Linear Formula: C6H5NHC2H5

DETAILS

Sigma Aldrich - 426385

Packaging
100 mL in glass bottle