2-bromo-4-nitropyridine

• ChemBase ID: 87537
• Molecular Formular: C5H3BrN2O2
• Molecular Mass: 202.99352
• Monoisotopic Mass: 201.93778935
• SMILES: n1c(cc(cc1)[N+](=O)[O-])Br
• Canonical SMILES: Brc1nccc(c1)[N+](=O)[O-]
• InChI: InChI=1S/C5H3BrN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H
• InChIKey: AFVITJKRFRRQKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-nitropyridine
• IUPAC Traditional name: 2-bromo-4-nitropyridine
• Synonyms: 2-Bromo-4-nitropyridine; 2-Bromo-4-nitropyridine; 2-溴-4-硝基吡啶

Database IDs

• CAS Number: 374063-92-0; 6945-67-1
• MDL Number: MFCD03701383
• Beilstein Number: 120826
• PubChem SID: 162074577
• PubChem CID: 243015

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6698322
• LogD (pH = 7.4): 1.6698322
• Log P: 1.6698322
• Molar Refractivity: 38.6866 cm^3
• Polarizability: 14.474322 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-63°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 21/22-36/37/38; 36/37/38
• Safety Statements: 26; 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-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: ≥94.0% (GC); 94%; 95%; 95+%; 97%; 98%
• Loss on Drying: ≤5% loss on drying
• Empirical Formula (Hill Notation): C5H3BrN2O2

DETAILS

Sigma Aldrich - 689610

Packaging
1 g in poly tube
5 g in poly bottle