4-ethenylpyridine

• ChemBase ID: 122873
• Molecular Formular: C7H7N
• Molecular Mass: 105.13718
• Monoisotopic Mass: 105.05784923
• SMILES: n1ccc(C=C)cc1
• Canonical SMILES: C=Cc1ccncc1
• InChI: InChI=1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2
• InChIKey: KFDVPJUYSDEJTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethenylpyridine
• IUPAC Traditional name: 4-vinylpyridine
• Synonyms: 4-Vinylpyridine; Poly(4-vinylpyridine); 4-vinylpyridine; 4-乙烯基吡啶; 聚(4-乙烯吡啶)

Database IDs

• CAS Number: 9017-40-7; 100-43-6
• EC Number: 000-000-0; 202-852-0
• MDL Number: MFCD00190588; MFCD00006447
• Beilstein Number: 104506
• PubChem SID: 24900739; 162217226
• PubChem CID: 7502

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2512313
• LogD (pH = 7.4): 1.4878665
• Log P: 1.4922755
• Molar Refractivity: 33.5874 cm^3
• Polarizability: 12.980267 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 58-61°C/12mm; 62-65 °C/15 mmHg(lit.)
• Flash Point: 118.4 °F; 48 °C; 51°C(124°F)
• Density: 0.975 g/mL at 25 °C(lit.); 0.984
• Refractive Index: 1.5510; n20/D 1.549(lit.)

Safety Information

• RTECS: UU1045000
• European Hazard Symbols: Toxic (T)
• UN Number: 3073; UN3073
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 10-20-25-34-42/43; 10-25-34-42/43
• Safety Statements: 23-26-36/37/39-45; 9-22-26-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H301-H314-H317; H301-H331-H317-H334-H314-H318-H226
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P301 + P310-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3073 6.1/PG 2
• Storage Temperature: -20°C

Product Information

• Purity: 2% cross-linked, ca 60 mesh, 8.0meq/g; 95%; 96%; 96%, stab. with 100ppm hydroquinone
• Contains: 100 ppm hydroquinone as inhibitor
• Empirical Formula (Hill Notation): C7H7N

DETAILS

Sigma Aldrich - V3204

Application
Polymerization monomer1 and protein alkylating agent.2
Packaging
5, 100, 500 mL in glass bottle

REFERENCES

• Reillex is a trademark of Reilly Industries, Inc.
• Useful acid scavenger and basic catalyst, replacement for pyridine, enabling simplified workup and product isolation: J. Chem. Ed., 61, 550 (1984); 63, 92 (1986); Tetrahedron Lett., 27, 4933 (1986).
• In the presence of NaOEt, thiols are protected as their S-2-(4-pyridyl)ethyl thioethers: J. Org. Chem., 51, 4914 (1986). Cleavage can be effected by methylation-hydrolysis: Tetrahedron Lett ., 25, 1223 (1984). Compare also 4-(2-Hydroxyethyl)pyridine, L13780.