pyridine-2-carbaldehyde

• ChemBase ID: 70239
• Molecular Formular: C6H5NO
• Molecular Mass: 107.11
• Monoisotopic Mass: 107.03711379
• SMILES: c1(ccccn1)C=O
• Canonical SMILES: O=Cc1ccccn1
• InChI: InChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H
• InChIKey: CSDSSGBPEUDDEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-2-carbaldehyde
• IUPAC Traditional name: 2-formylpyridine
• Synonyms: 2-Pyridinecarboxaldehyde; Pyridine-2-aldehyde; 2-Pyridinecarboxaldehyde; picolinaldehyde; 2-Pyridine carboxaldehyde; 2-Pyridyl aldehyde; Picolinal; 2-Formylpyridine; Pyridine-2-carboxaldehyde; Picolinaldehyde; 2-Formylpyridine; Pyridine-2-carboxaldehyde 97%; PYRIDINE-2-ALDEHYDE; 吡啶-2-甲醛; 吡啶甲醛; 2-吡啶甲醛; 吡啶-2-甲醛

Database IDs

• CAS Number: 1121-60-4
• EC Number: 214-333-6
• MDL Number: MFCD00006290
• Beilstein Number: 105341
• PubChem SID: 24898654; 162035962
• PubChem CID: 14273
• CHEMBL: 274794
• Chemspider ID: 13635
• Wikipedia Title: 2-Formylpyridine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1383028
• LogD (pH = 7.4): 1.1425642
• Log P: 1.1426189
• Molar Refractivity: 30.0999 cm^3
• Polarizability: 11.32814 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -21°C; -21°C
• Boiling Point: 179-181°C; 180-181°C; 181 °C(lit.); 181°C
• Flash Point: 163.4 °F; 68°C(154°F); 73 °C; 73°C
• Density: 1.124; 1.126; 1.126 g/mL; 1.126 g/mL at 25 °C(lit.)
• Refractive Index: 1.536; 1.5360; n20/D 1.536(lit.)

Safety Information

• Storage Warning: Air & Light Sensitive; IRRITANT; Toxic/Harmful/Irritant/Corrosive/Air Sensitive/Light Sensitive/Keep Cold/Store under Argon
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1989; UN2810
• German water hazard class: 2
• Hazard Class: 3; 6.1
• Packing Group: 3; III
• Risk Statements: 22-23-36/37/38-43-52; 22-23-37/38-41-43-51/53
• Safety Statements: 24-26-36/37/39-45-61; 26-36/37-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H317-H318-H330-H335; H331-H302-H315-H317-H335-H318-H227-H401-H411
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P260-P280-P284-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1989 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%; 98%; 99%
• Empirical Formula (Hill Notation): C6H5NO

DETAILS

MP Biomedicals - 05218007

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P62003

Packaging
25, 100, 500 g in glass bottle

REFERENCES

• Has been applied in a sequence for the oxidative deamination of amines to ketones, by reaction of the imines with mCPBA and cleavage of the resulting oxaziridines: J. Am. Chem. Soc., 97, 6900 (1975):