4-ethylpyridine

• ChemBase ID: 104994
• Molecular Formular: C7H9N
• Molecular Mass: 107.15306
• Monoisotopic Mass: 107.07349929
• SMILES: CCc1ccncc1
• Canonical SMILES: CCc1ccncc1
• InChI: InChI=1S/C7H9N/c1-2-7-3-5-8-6-4-7/h3-6H,2H2,1H3
• InChIKey: VJXRKZJMGVSXPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylpyridine
• IUPAC Traditional name: 4-ethylpyridine
• Synonyms: 4-Ethylpyridine; 4-ETHYLPYRIDINE; 4-乙基吡啶

Database IDs

• CAS Number: 536-75-4
• EC Number: 208-646-7
• MDL Number: MFCD00006450
• Beilstein Number: 106481
• Merck Index: 143849
• PubChem SID: 162092208; 24847097
• PubChem CID: 10822

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3403684
• LogD (pH = 7.4): 1.7048408
• Log P: 1.7135634
• Molar Refractivity: 33.5433 cm^3
• Polarizability: 13.05333 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -91°C
• Boiling Point: 167-168°C; 168 °C(lit.); 168°C
• Flash Point: 122 °F; 47.7°C; 50 °C; 52°C(126°F)
• Density: 0.942; 0.942 g/ml; 0.942 g/mL at 25 °C(lit.)
• Refractive Index: 1.5010; n20/D 1.501(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 1993; 2924; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Australian Hazchem: 3Y
• Risk Statements: 10-36/37/38; R:10-34
• Safety Statements: 26-36; 26-37-60; S:16-27/28-29-36/37/39-45
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 128
• 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 2924 3/PG 3

Product Information

• Purity: 95+%; 98%
• Empirical Formula (Hill Notation): C7H9N

DETAILS

MP Biomedicals - 05213888

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02158010

1 ml = approx. 0.94 g

Sigma Aldrich - 112437

Packaging
25 g in glass bottle