2-chloro-5-(chloromethyl)pyridine

• ChemBase ID: 18469
• Molecular Formular: C6H5Cl2N
• Molecular Mass: 162.0166
• Monoisotopic Mass: 160.97990453
• SMILES: c1(cnc(cc1)Cl)CCl
• Canonical SMILES: ClCc1ccc(nc1)Cl
• InChI: InChI=1S/C6H5Cl2N/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3H2
• InChIKey: SKCNYHLTRZIINA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(chloromethyl)pyridine
• IUPAC Traditional name: 2-chloro-5-(chloromethyl)pyridine
• Synonyms: 2-Chloro-5-(chloromethyl)pyridine; 2-Chloro-5-(chloromethyl)pyridine; 2-氯-5-(氯甲基)吡啶

Database IDs

• CAS Number: 70258-18-3
• EC Number: 000-000-0
• MDL Number: MFCD00125366
• Beilstein Number: 1635690
• PubChem SID: 24873906; 160981776
• PubChem CID: 155479

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1670287
• LogD (pH = 7.4): 2.1670372
• Log P: 2.1670372
• Molar Refractivity: 39.6341 cm^3
• Polarizability: 15.062553 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 37 - 42°C; 37-42 °C(lit.); 37-42°C; 37-42°C
• Flash Point: >110°C(230°F); 110 °C; 110°C; 230 °F
• Hydrophobicity(logP): 2.004

Safety Information

• Storage Warning: Corrosive/Harmful/Lachrymatory/Keep Cold/Store under Argon; LACHRYMATOR, CORROSIVE
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3261; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 22-34; 22-34-43
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314; H314-H318-H302-H317
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: 95%; 96%; 97%; 98%; 99%
• Empirical Formula (Hill Notation): C6H5Cl2N

DETAILS

Sigma Aldrich - 516910

Packaging
5, 25 g in glass bottle