pyridine-2,6-dicarbonyl dichloride

• ChemBase ID: 150978
• Molecular Formular: C7H3Cl2NO2
• Molecular Mass: 204.01022
• Monoisotopic Mass: 202.9540837
• SMILES: c1cc(nc(c1)C(=O)Cl)C(=O)Cl
• Canonical SMILES: ClC(=O)c1cccc(n1)C(=O)Cl
• InChI: InChI=1S/C7H3Cl2NO2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-3H
• InChIKey: GWHOGODUVLQCEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-2,6-dicarbonyl dichloride
• IUPAC Traditional name: pyridine-2,6-dicarbonyl dichloride
• Synonyms: 2,6-Pyridinedicarbonyl chloride; Pyridine-2,6-dicarboxylic acid chloride; 2,6-Pyridinedicarbonyl dichloride; Pyridine-2,6-dicarbonyl dichloride; 2,6-Pyridinedicarbonyl chloride; 2,6-吡啶二羰酰氯; 2,6-氯甲酰吡啶; 2,6-吡啶二甲酰氯; 吡啶-2,6-二甲酰氯; 2,6-吡啶二羰酰氯

Database IDs

• CAS Number: 3739-94-4
• EC Number: 223-125-4
• MDL Number: MFCD00006289
• Beilstein Number: 131556
• PubChem SID: 24888044; 162245137; 24848540
• PubChem CID: 77335

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9090991
• LogD (pH = 7.4): 1.9090991
• Log P: 1.9090991
• Molar Refractivity: 45.3865 cm^3
• Polarizability: 17.135336 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 56-58 °C(lit.); 56-60 °C; 57-61°C
• Boiling Point: 284 °C(lit.); 284°C

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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: ≥96% (T); 97%; 98%
• Grade: technical
• Empirical Formula (Hill Notation): C7H3Cl2NO2

DETAILS

Sigma Aldrich - 142875

Packaging
5, 25 g in glass bottle