4-ethylaniline

• ChemBase ID: 108969
• Molecular Formular: C8H11N
• Molecular Mass: 121.17964
• Monoisotopic Mass: 121.08914936
• SMILES: CCc1ccc(N)cc1
• Canonical SMILES: CCc1ccc(cc1)N
• InChI: InChI=1S/C8H11N/c1-2-7-3-5-8(9)6-4-7/h3-6H,2,9H2,1H3
• InChIKey: HRXZRAXKKNUKRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylaniline
• IUPAC Traditional name: P-ethylaniline
• Synonyms: 4-ethyl aniline; p-ETHYLANILINE; 4-ethylaniline; 4-Ethylaniline; 4-乙基苯胺

Database IDs

• CAS Number: 106-49-0; 589-16-2
• EC Number: 209-637-0
• MDL Number: MFCD00007921
• Beilstein Number: 774319
• PubChem SID: 24845421; 162094642; 24894393
• PubChem CID: 11504

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0000477
• LogD (pH = 7.4): 2.1008584
• Log P: 2.10231
• Molar Refractivity: 40.4006 cm^3
• Polarizability: 15.108512 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -5 °C(lit.); -5°C
• Boiling Point: 216 °C(lit.); 217-218°C
• Flash Point: 185 °F; 85 °C; 97°C(207°F)
• Density: 0.975; 0.975 g/mL at 25 °C(lit.)
• Refractive Index: 1.5540; n20/D 1.554; n20/D 1.554(lit.)

Safety Information

• RTECS: BX9900000
• European Hazard Symbols: Toxic (T); X
• UN Number: UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-33; 23/24/25-33
• Safety Statements: 28-36/37; 36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H311 + H331-H373; H301-H331-H312-H373
• GHS Precautionary statements: P260-P301+P310-P302+P352-P321-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

Product Information

• Purity: ≥98.0% (GC); 97%; 98%; 98+%
• Grade: technical
• Linear Formula: C2H5C6H4NH2

DETAILS

MP Biomedicals - 05209393

MP Biomedicals Rare Chemical collection

Sigma Aldrich - E12001

Packaging
5, 100, 500 mL in glass bottle