4-methylpyridine

• ChemBase ID: 110744
• Molecular Formular: C6H7N
• Molecular Mass: 93.12648
• Monoisotopic Mass: 93.05784923
• SMILES: Cc1ccncc1
• Canonical SMILES: Cc1ccncc1
• InChI: InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3
• InChIKey: FKNQCJSGGFJEIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpyridine
• IUPAC Traditional name: 4-methylpyridine
• Synonyms: 4-Methylpyridine; 4-Picoline; 4-METHYLPYRIDINE; 4-甲基吡啶; 4-皮考林; 4-甲基吡啶

Database IDs

• CAS Number: 108-89-4
• EC Number: 203-626-4
• MDL Number: MFCD00006440
• Beilstein Number: 104586
• Merck Index: 147402
• PubChem SID: 24848019; 24854384; 162088968
• PubChem CID: 7963

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8493784
• LogD (pH = 7.4): 1.2582027
• Log P: 1.2689948
• Molar Refractivity: 28.9423 cm^3
• Polarizability: 11.20739 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 2.4 °C(lit.); 3°C
• Boiling Point: 144-145°C; 145 °C(lit.); 145°C
• Flash Point: 102.2 °F; 39 °C; 39°C(102°F)
• Auto Ignition Point: 1000 °F
• Density: 0.957; 0.957 g/mL at 25 °C(lit.)
• Refractive Index: 1.5050; n20/D 1.504(lit.)
• Vapor Pressure: 4 mmHg ( 20 °C)
• Vapor Density: 3.2 (vs air)

Safety Information

• Storage Warning: Air Sensitive & Hygroscopic
• RTECS: UT5425000
• European Hazard Symbols: Toxic (T)
• UN Number: 1992; UN2313
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-20/22-24-36/37/38; R:10-20/22-24-36/37/38
• Safety Statements: 26-36-45; S:26-36-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H311-H315-H319-H332-H335; H311-H302-H332-H315-H319-H335-H226
• GHS Precautionary statements: P210-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P261-P280-P305 + P351 + P338-P312
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1992 3/PG 3

Product Information

• Purity: 98%; 99%
• Empirical Formula (Hill Notation): C6H7N

DETAILS

MP Biomedicals - 05216161

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 131490

Packaging
25 mL in glass bottle

Sigma Aldrich - 239615

Packaging
50 mL in glass bottle