3-bromo-5-chloropyridine

• ChemBase ID: 16279
• Molecular Formular: C5H3BrClN
• Molecular Mass: 192.44102
• Monoisotopic Mass: 190.91373878
• SMILES: c1(cncc(c1)Cl)Br
• Canonical SMILES: Clc1cncc(c1)Br
• InChI: InChI=1S/C5H3BrClN/c6-4-1-5(7)3-8-2-4/h1-3H
• InChIKey: BELDOPUBSLPBCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-chloropyridine
• IUPAC Traditional name: 3-bromo-5-chloropyridine
• Synonyms: 3-Bromo-5-chloropyridine; 3-Bromo-5-chloropyridine; 3-溴-5-氯吡啶

Database IDs

• CAS Number: 73583-39-8
• MDL Number: MFCD04114221
• PubChem SID: 160979586
• PubChem CID: 606256

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1283207
• LogD (pH = 7.4): 2.12837
• Log P: 2.1283708
• Molar Refractivity: 36.3287 cm^3
• Polarizability: 14.29433 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77-81 °C; 77-81°C; 78-81°C; 81.2-81.5°C

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful/Corrosive/Store under Argon
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/21/22-36/37/38; 22-37/38-41
• Safety Statements: 26-36/37; 26-36/37/39
• 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
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 95%; 96%; 97%; 98%
• Empirical Formula (Hill Notation): C5H3BrClN

DETAILS

Sigma Aldrich - 691801

Packaging
1 g in glass bottle