5-bromo-6-methylpyridin-2-amine

• ChemBase ID: 6786
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1(C)c(Br)ccc(N)n1
• Canonical SMILES: Nc1ccc(c(n1)C)Br
• InChI: InChI=1S/C6H7BrN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)
• InChIKey: SEOZHXRTVJPQPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-6-methylpyridin-2-amine
• IUPAC Traditional name: 5-bromo-6-methylpyridin-2-amine
• Synonyms: 6-Amino-3-bromo-2-methylpyridine; 6-Amino-3-bromo-2-methylpyridine; 2-Amino-5-bromo-6-methylpyridine; 5-bromo-6-methylpyridin-2-amine; 6-Amino-3-bromo-2-picoline; 5-Bromo-6-methyl-2-pyridinamine; 6-氨基-3-溴-2-甲基吡啶

Database IDs

• CAS Number: 42753-71-9
• EC Number: 255-927-5
• MDL Number: MFCD00068230
• Beilstein Number: 114140
• PubChem SID: 160970093; 24879032
• PubChem CID: 170678

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8544219
• LogD (pH = 7.4): 1.4063392
• Log P: 1.4212278
• Molar Refractivity: 41.1293 cm^3
• Polarizability: 15.19733 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79-84 °C(lit.); 79-84°C; 80-82°C; 81 - 83°C; 83-84°C
• Hydrophobicity(logP): 0.403

Safety Information

• Storage Warning: Hygroscopic; 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; 是
• 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; P280H-P305+P351+P338-P301+P312
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 96%; 97%; 98%
• Empirical Formula (Hill Notation): C6H7BrN2

DETAILS

Sigma Aldrich - 548405

Packaging
1, 5 g in glass bottle