2-ethynylpyridine

• ChemBase ID: 69228
• Molecular Formular: C7H5N
• Molecular Mass: 103.1213
• Monoisotopic Mass: 103.04219917
• SMILES: c1(ccccn1)C#C
• Canonical SMILES: C#Cc1ccccn1
• InChI: InChI=1S/C7H5N/c1-2-7-5-3-4-6-8-7/h1,3-6H
• InChIKey: NHUBNHMFXQNNMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethynylpyridine
• IUPAC Traditional name: 2-ethynylpyridine
• Synonyms: 2-Pyridylacetylene; 2-Ethynylpyridine; 2-Ethynylpyridine; (Pyridin-2-yl)acetylene; 2-乙炔基吡啶

Database IDs

• CAS Number: 1945-84-2
• EC Number: 000-000-0
• MDL Number: MFCD00041598
• Beilstein Number: 1098904
• PubChem SID: 162034956; 24870624
• PubChem CID: 137268

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2863487
• LogD (pH = 7.4): 1.2921841
• Log P: 1.292259
• Molar Refractivity: 28.7014 cm^3
• Polarizability: 12.022276 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 77-78°C/14mm; 77-78°C/14mm; 85 °C/12 mmHg(lit.)
• Flash Point: 76°C; 76°C(168°F)
• Density: 0.94; 1.020; 1.021 g/mL at 25 °C(lit.)
• Refractive Index: 1.5590; n20/D 1.56(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Air Sensitive/Moisture Sensitive/Store under Argon/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%; 98%; 98%, stab. with 0.01% hydroquinone
• Empirical Formula (Hill Notation): C7H5N

DETAILS

Sigma Aldrich - 469920

Application
2-Ethynylpyridine is used in the synthesis of the self-doped ionic conjugated polymer, poly(2-ethynylpyridinimum N-benzoylsulfonate).
General description
May darken in storage with no loss in purity.
Packaging
1, 5 g in glass bottle