2-chloro-6-methylpyridine

• ChemBase ID: 10428
• Molecular Formular: C6H6ClN
• Molecular Mass: 127.57154
• Monoisotopic Mass: 127.01887688
• SMILES: c1c(nc(cc1)Cl)C
• Canonical SMILES: Cc1cccc(n1)Cl
• InChI: InChI=1S/C6H6ClN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3
• InChIKey: GXZDYRYYNXYPMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methylpyridine
• IUPAC Traditional name: 6-chloro-2-picoline
• Synonyms: 2-Chloro-6-Methyl Pyridine; 6-Chloro-2-picoline; 2-Chloro-6-methylpyridine; 2-Chloro-6-methylpyridine; 6-Chloro-2-picoline; 6-氯-2-皮考啉; 2-氯-6-甲基吡啶

Database IDs

• CAS Number: 18368-63-3
• EC Number: 242-241-6
• MDL Number: MFCD00006245
• Beilstein Number: 107187
• PubChem SID: 160973735; 24847286
• PubChem CID: 87601

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7110637
• LogD (pH = 7.4): 1.7111641
• Log P: 1.7111654
• Molar Refractivity: 34.3587 cm^3
• Polarizability: 13.123262 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 64-68 °C/10 mmHg(lit.); 64-68°C/10mm; 64-68°C/10mm
• Flash Point: 165.2 °F; 73°C(163°F); 74 °C
• Density: 1.167; 1.167 g/mL at 25 °C(lit.)
• Refractive Index: 1,5265; 1.5265; n20/D 1.527(lit.)
• Hydrophobicity(logP): 1.941

Safety Information

• Storage Warning: Irritant; IRRITANT, IRRITANT-HARMFUL
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38; 36/37/38
• Safety Statements: 26-36; 9-23-26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H331-H302-H312-H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 97%; 98%; 99%
• Empirical Formula (Hill Notation): C6H6ClN

DETAILS

Sigma Aldrich - 116335

Packaging
5, 25 g in glass bottle