2-bromo-3-chloropyridine

• ChemBase ID: 19178
• Molecular Formular: C5H3BrClN
• Molecular Mass: 192.44102
• Monoisotopic Mass: 190.91373878
• SMILES: c1cnc(c(c1)Cl)Br
• Canonical SMILES: Clc1cccnc1Br
• InChI: InChI=1S/C5H3BrClN/c6-5-4(7)2-1-3-8-5/h1-3H
• InChIKey: GOHBBINNYAWQGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-chloropyridine
• IUPAC Traditional name: 2-bromo-3-chloropyridine
• Synonyms: 2-Bromo-3-chloropyridine; 2-Bromo-3-chloropyridine; 2-溴-3-氯吡啶

Database IDs

• CAS Number: 96424-68-9
• EC Number: 000-000-0
• MDL Number: MFCD04039344
• Beilstein Number: 1561638
• PubChem SID: 160982485
• PubChem CID: 7016326

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.333892
• LogD (pH = 7.4): 2.3338926
• Log P: 2.3338928
• Molar Refractivity: 37.1709 cm^3
• Polarizability: 14.354389 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58-59°C; 58-63 °C; 59-61°C
• Hydrophobicity(logP): 2.194

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37; 26-36/37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H332-H315-H319-H335; H302-H312-H315-H319-H331-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P311; P261-P301+P310-P305+P351+P338-P361-P405-P501A

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H3BrClN

DETAILS

Sigma Aldrich - 725188

Packaging
1, 5 g in glass bottle