2-methylpyridine

• ChemBase ID: 111921
• Molecular Formular: C6H7N
• Molecular Mass: 93.12648
• Monoisotopic Mass: 93.05784923
• SMILES: Cc1ccccn1
• Canonical SMILES: Cc1ccccn1
• InChI: InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3
• InChIKey: BSKHPKMHTQYZBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpyridine
• IUPAC Traditional name: α-methylpyridine
• Synonyms: α-Picoline; NSC 3409; 2-Methylpyridine; 2-Picoline; α-PICOLINE; 2-Methylpyridine; 2-甲基吡啶; 2-皮考林; 2-甲基吡啶

Database IDs

• CAS Number: 109-06-8
• EC Number: 203-643-7
• MDL Number: MFCD00006332
• Beilstein Number: 104581
• Merck Index: 147400
• PubChem SID: 24846941; 162096667; 24887349
• PubChem CID: 7975

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.4331002
• LogD (pH = 7.4): 0.8762756
• Log P: 0.8869436
• Molar Refractivity: 28.4926 cm^3
• Polarizability: 11.209261 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -66.8°C; -70 °C(lit.); -70°C
• Boiling Point: 128-129 °C(lit.); 128-129°C; 129°C
• Flash Point: 26°C(78°F); 29 °C; 84.2 °F
• Auto Ignition Point: 995 °F
• Density: 0.943 g/mL at 25 °C(lit.); 0.944; 0.945 g/ml
• Refractive Index: 1.5000; n20/D 1.500; n20/D 1.500(lit.)
• Vapor Pressure: 10 mmHg ( 24.4 °C)
• Vapor Density: 3.2 (vs air)

Safety Information

• RTECS: TJ4900000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2313; UN2313
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-20/21/22-36/37; R:10-20/21/22-36/37
• Safety Statements: 2-26-36; 26-36; S:26-36
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• Explode Limits: 8.6 %
• GHS Hazard statements: H226-H302-H312-H319-H332-H335; H226-H302-H312-H332-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-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 2313 3/PG 3

Product Information

• Purity: ≥98.0% (GC); 95+%; 98%; 98+%
• Grade: purum
• Empirical Formula (Hill Notation): C6H7N

DETAILS

MP Biomedicals - 05221714

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 109835

Packaging
1 L in glass bottle
25, 500 mL in glass bottle