5-bromo-4-methylpyridin-2-amine

• ChemBase ID: 13656
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: c1(cnc(cc1C)N)Br
• Canonical SMILES: Nc1ncc(c(c1)C)Br
• InChI: InChI=1S/C6H7BrN2/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3,(H2,8,9)
• InChIKey: JDNCMHOKWINDKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4-methylpyridin-2-amine
• IUPAC Traditional name: 5-bromo-4-methylpyridin-2-amine
• Synonyms: 2-Amino-5-bromo-4-picoline; 5-Bromo-4-methyl-2-pyridinamine; 5-bromo-4-methylpyridin-2-amine; 2-Amino-5-bromo-4-methylpyridine; 2-Amino-5-bromo-4-methylpyridine; 2-Amino-5-bromo-4-methylpyridine 98%; 2-氨基-5-溴-4-甲基吡啶

Database IDs

• CAS Number: 98198-48-2
• MDL Number: MFCD03427660
• PubChem SID: 160976963; 24880884
• PubChem CID: 817695

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2454984
• LogD (pH = 7.4): 1.7879245
• Log P: 1.8032789
• Molar Refractivity: 41.579 cm^3
• Polarizability: 15.195717 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 147-152°C; 148-151 °C(lit.); 148-151°C; 150-152°C
• Hydrophobicity(logP): 1.803

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Store under Argon
• 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; P280H-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

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

DETAILS

Sigma Aldrich - 576786

Packaging
1, 5, 25 g in glass bottle