2,3-dibromopyridine

• ChemBase ID: 13670
• Molecular Formular: C5H3Br2N
• Molecular Mass: 236.89202
• Monoisotopic Mass: 234.8632231
• SMILES: c1cnc(c(c1)Br)Br
• Canonical SMILES: Brc1ncccc1Br
• InChI: InChI=1S/C5H3Br2N/c6-4-2-1-3-8-5(4)7/h1-3H
• InChIKey: SLMHHOVQRSSRCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromopyridine
• IUPAC Traditional name: 2,3-dibromopyridine
• Synonyms: 2,3-Dibromo Pyridine; 2,3-Dibromopyridine; 2,3-Dibromopyridine; 2,3-二溴吡啶

Database IDs

• CAS Number: 13534-89-9
• MDL Number: MFCD00234014
• Beilstein Number: 109828
• PubChem SID: 160976977
• PubChem CID: 817102

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4985998
• LogD (pH = 7.4): 2.4986007
• Log P: 2.4986007
• Molar Refractivity: 39.9889 cm^3
• Polarizability: 15.481576 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 56-60 °C; 56-60°C; 58-60°C
• Boiling Point: 249-250°C; 249-250°C

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT, IRRITANT-HARMFUL
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H332-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P361-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

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

DETAILS

Sigma Aldrich - 705462

Packaging
1, 5 g in glass bottle