2-ethylpyridine

• ChemBase ID: 107576
• Molecular Formular: C7H9N
• Molecular Mass: 107.15306
• Monoisotopic Mass: 107.07349929
• SMILES: CCc1ccccn1
• Canonical SMILES: CCc1ccccn1
• InChI: InChI=1S/C7H9N/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3
• InChIKey: NRGGMCIBEHEAIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylpyridine
• IUPAC Traditional name: 2-ethylpyridine
• Synonyms: 2-ETHYLPYRIDINE; 2-Ethylpyridine; 2-乙基吡啶

Database IDs

• CAS Number: 100-71-0
• EC Number: 202-881-9
• MDL Number: MFCD00006361
• Beilstein Number: 106480
• PubChem SID: 162094034; 24847096
• PubChem CID: 7523

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2336988
• LogD (pH = 7.4): 1.5803304
• Log P: 1.5874794
• Molar Refractivity: 33.1195 cm^3
• Polarizability: 13.055304 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -63°C
• Boiling Point: 149 °C(lit.); 149°C
• Flash Point: 102.2 °F; 37°C(98°F); 39 °C
• Density: 0.937; 0.937 g/mL at 25 °C(lit.)
• Refractive Index: 1.4970; n20/D 1.496(lit.); n20/D 1.498

Safety Information

• European Hazard Symbols: X; Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-20/21/22-36/37/38; 10-36/37/38; R:36/37/38
• Safety Statements: 26-36; 26-36/37; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H312-H332-H315-H319-H335; H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-P305+P351+P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥98.0% (GC); 97%; 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C7H9N

DETAILS

MP Biomedicals - 05204226

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 112429

Packaging
100 mL in glass bottle