2,4-dibromopyridine

• ChemBase ID: 21418
• Molecular Formular: C5H3Br2N
• Molecular Mass: 236.89202
• Monoisotopic Mass: 234.8632231
• SMILES: c1cnc(cc1Br)Br
• Canonical SMILES: Brc1ccnc(c1)Br
• InChI: InChI=1S/C5H3Br2N/c6-4-1-2-8-5(7)3-4/h1-3H
• InChIKey: PCMMSLVJMKQWMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromopyridine
• IUPAC Traditional name: 2,4-dibromopyridine
• Synonyms: 2,4-Dibromopyridine; 2,4-Dibromopyridine; 2,4-二溴吡啶

Database IDs

• CAS Number: 58530-53-3
• EC Number: 000-000-0
• MDL Number: MFCD01859720
• PubChem SID: 160984725
• PubChem CID: 817104

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4985974
• LogD (pH = 7.4): 2.4986007
• Log P: 2.4986007
• Molar Refractivity: 39.9889 cm^3
• Polarizability: 15.472659 Å^3
• Polar Surface Area: 12.89 Å^2

PROPERTIES

Physical Property

• Melting Point: 35-40 °C; 38-40°C; 38-40°C
• Flash Point: >110 °C; >230 °F

Safety Information

• Storage Warning: Hygroscopic; IRRITANT; Irritant
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 20/21/22-36/37/38; 22-36/37/38
• Safety Statements: 22-26-37; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H332-H315-H319-H335; H301-H315-H318-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P361-P405-P501A

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C5H3Br2N

DETAILS

Sigma Aldrich - 725196

Packaging
1, 5 g in glass bottle