5-bromo-2-chloropyridine

• ChemBase ID: 10027
• Molecular Formular: C5H3BrClN
• Molecular Mass: 192.44102
• Monoisotopic Mass: 190.91373878
• SMILES: c1c(ncc(c1)Br)Cl
• Canonical SMILES: Clc1ccc(cn1)Br
• InChI: InChI=1S/C5H3BrClN/c6-4-1-2-5(7)8-3-4/h1-3H
• InChIKey: PEAOEIWYQVXZMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-chloropyridine
• IUPAC Traditional name: 5-bromo-2-chloropyridine
• Synonyms: 5-Bromo-2-chloropyridine; 5-Bromo-2-chloropyridine 99%; 5-Bromo-2-chloropyridine; 5-溴-2-氯吡啶

Database IDs

• CAS Number: 53939-30-3; 39232-85-4
• EC Number: 000-000-0
• MDL Number: MFCD01318951
• Beilstein Number: 108887
• PubChem SID: 24879237; 160973334
• PubChem CID: 2734414

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3485475
• LogD (pH = 7.4): 2.348548
• Log P: 2.348548
• Molar Refractivity: 37.39 cm^3
• Polarizability: 14.334081 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65-69 °C(lit.); 65-69°C; 68-72°C; 72-74°C
• Hydrophobicity(logP): 2.334

Safety Information

• Storage Warning: Irritant; 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: true; 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: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H3BrClN

DETAILS

Sigma Aldrich - 551902

Packaging
5, 25 g in glass bottle