2-chloropyridine

• ChemBase ID: 92725
• Molecular Formular: C5H4ClN
• Molecular Mass: 113.54496
• Monoisotopic Mass: 113.00322681
• SMILES: n1c(cccc1)Cl
• Canonical SMILES: Clc1ccccn1
• InChI: InChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H
• InChIKey: OKDGRDCXVWSXDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloropyridine
• IUPAC Traditional name: 2-chloropyridine
• Synonyms: o-Chloropyridine; α-Chloropyridine; NSC 4649; 2-Chloropyridine; 2-Chloropyridine; 2-氯吡啶

Database IDs

• CAS Number: 109-09-1
• EC Number: 203-646-3
• MDL Number: MFCD00006228
• Beilstein Number: 105788
• PubChem SID: 24855927; 162079423; 24892916
• PubChem CID: 7977
• CHEBI ID: 39174
• CHEMBL: 509579
• Chemspider ID: 7689
• Wikipedia Title: 2-Chloropyridine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5797772
• LogD (pH = 7.4): 1.579795
• Log P: 1.5797952
• Molar Refractivity: 29.7672 cm^3
• Polarizability: 11.361662 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 27 g/L in water; Chloroform; Ethyl Acetate
• Apperance: Clear Colourless Liquid; colorless, clear liquid
• Melting Point: -46°C; -46°C
• Boiling Point: 166 °C/714 mmHg(lit.); 166°C; 167-170°C
• Flash Point: 154.4 °F; 65°C(149°F); 68 °C; 68°C
• Density: 1.2; 1.2 g/mL at 25 °C(lit.); 1.20 g/ml; 1.200 g/ml; 1.208
• Refractive Index: 1.5320; n20/D 1.532(lit.); n20/D 1.534
• Vapor Pressure: 1.7 mmHg ( 20 °C)
• pKa: 0.49

Safety Information

• Storage Condition: Refrigerator; Room Temperature (15-30°C)
• Storage Warning: Toxic
• RTECS: US5950000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2822; UN2822
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Australian Hazchem: 2X
• Risk Statements: 23/24/25-36/37/38; 23/24/25-37/38-41-50; R:27; R23 R38
• Safety Statements: 26-36/37/39-45; 26-36/37/39-45-61; S:28-29-36/37/39-45; S26 S37 S39 S45
• EU Classification: T1
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 153
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H331-H310-H315-H319-H335; H301-H310-H330-H315-H335-H318-H400-H227
• GHS Precautionary statements: P261-P280-P301 + P310-P302 + P350-P305 + P351 + P338-P310; P280-P273-P303+P361+P353-P304+P340-P305+P351+P338-P320
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2822 6.1/PG 2

Product Information

• Purity: ≥98.0% (GC); 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C5H4ClN

DETAILS

MP Biomedicals - 02150653

Purity: 99%
1 ml = approx. 1.20 g

Sigma Aldrich - C69802

Packaging
5, 100, 500 g in glass bottle

Toronto Research Chemicals - C380605

2-Chloropyridine (2-CPY) has been identified as a trace organic chemical in process streams, wastewater and even drinking water. Furthermore, it appears to be formed as a secondary pollutant during the decomposition of specific insecticides. 2-CPY was fo

REFERENCES

• Demsia, G., et al.: Mutat. Res., 634, 32 (2007)
• Stapleton, D., et al.: Water Res., 43, 3964 (2007)
• Reaction with the unimetal suberbase complex formed from 2 mol of n-BuLi and I mol of 2-(Dimethylamino)ethanol, B23616, in hexane, gives products resulting from apparent metallation at the 6-position, providing useful access to 6-functionalized 2-chloropyridines: Org. Lett., 2, 803 (2000). See also 2-Methoxypyridine, A13675, for a similar effect.