6-bromopyridin-3-amine

• ChemBase ID: 18438
• Molecular Formular: C5H5BrN2
• Molecular Mass: 173.0106
• Monoisotopic Mass: 171.96361017
• SMILES: c1c(ncc(c1)N)Br
• Canonical SMILES: Brc1ccc(cn1)N
• InChI: InChI=1S/C5H5BrN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
• InChIKey: XTHKRYHULUJQHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromopyridin-3-amine
• IUPAC Traditional name: 6-bromopyridin-3-amine
• Synonyms: 5-Amino-2-bromopyridine; 6-Bromo-[3]pyridylamine; 6-Bromo-3-pyridinamine; 5-Amino-2-bromopyridine; 3-Amino-6-bromopyridine; 6-Bromopyridin-3-amine; 5-Amino-2-bromopyridine 99%; 6-bromopyridin-3-amine; 5-氨基-2-溴吡啶; 3-氨基-6-溴吡啶

Database IDs

• CAS Number: 13534-97-9; 13534-47-9
• EC Number: 000-000-0
• MDL Number: MFCD01646116
• Beilstein Number: 109102
• PubChem SID: 160981745; 24879291
• PubChem CID: 642811

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9007557
• LogD (pH = 7.4): 0.90092
• Log P: 0.90092206
• Molar Refractivity: 37.0665 cm^3
• Polarizability: 13.51215 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Yellow Powder
• Melting Point: 74 - 76°C; 74-76 °C(lit.); 74-76°C; 75-79°C; 76-77°C; 76-77°C
• Hydrophobicity(logP): 1.304

Safety Information

• Storage Warning: IRRITANT; Irritant
• 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: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H5BrN2

DETAILS

Sigma Aldrich - 552844

Packaging
1, 5 g in glass bottle