4-bromo-2-chloropyridine

• ChemBase ID: 13761
• Molecular Formular: C5H3BrClN
• Molecular Mass: 192.44102
• Monoisotopic Mass: 190.91373878
• SMILES: c1cnc(cc1Br)Cl
• Canonical SMILES: Brc1ccnc(c1)Cl
• InChI: InChI=1S/C5H3BrClN/c6-4-1-2-8-5(7)3-4/h1-3H
• InChIKey: ONHMWUXYIFULDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-chloropyridine
• IUPAC Traditional name: 4-bromo-2-chloropyridine
• Synonyms: 2-Chloro-4-Bromopyridine; 4-Bromo-2-chloropyridine; 4-Bromo-2-chloropyridine 98%; 4-Bromo-2-chloropyridine; 4-溴-2-氯吡啶

Database IDs

• CAS Number: 73583-37-6
• MDL Number: MFCD03840756
• PubChem SID: 24883449; 160977068
• PubChem CID: 3847770

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3485463
• LogD (pH = 7.4): 2.348548
• Log P: 2.348548
• Molar Refractivity: 37.39 cm^3
• Polarizability: 14.331698 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 18-20°C; 20-20.6°C
• Boiling Point: 70°C/3mm
• Flash Point: 104°C(219°F); 107 °C; 107°C; 224.6 °F
• Density: 1.734; 1.734 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5900(lit.)
• Hydrophobicity(logP): 2.313

Safety Information

• Storage Warning: Harmful/Irritant/Corrosive/Light Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/38; 22-37/38-41
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H332-H315-H319; H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P361-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 94%; 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H3BrClN

DETAILS

Sigma Aldrich - 646318

Packaging
5, 25 g in glass bottle