3,5-dibromopyridin-2-amine

• ChemBase ID: 13710
• Molecular Formular: C5H4Br2N2
• Molecular Mass: 251.90666
• Monoisotopic Mass: 249.87412214
• SMILES: c1(cnc(c(c1)Br)N)Br
• Canonical SMILES: Brc1cnc(c(c1)Br)N
• InChI: InChI=1S/C5H4Br2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
• InChIKey: WJMJWMSWJSACSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromopyridin-2-amine
• IUPAC Traditional name: 3,5-dibromopyridin-2-amine
• Synonyms: 2-Amino-3,5-dibromopyridine; 3,5-dibromopyridin-2-amine; 2-Amino-3,5-dibromopyridine; 2-氨基-3,5-二溴吡啶

Database IDs

• CAS Number: 35486-42-1
• EC Number: 252-590-6
• MDL Number: MFCD00038041
• Beilstein Number: 119390
• PubChem SID: 24850871; 160977017
• PubChem CID: 98851

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0551338
• LogD (pH = 7.4): 2.0585663
• Log P: 2.0586102
• Molar Refractivity: 44.1606 cm^3
• Polarizability: 16.616228 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102-104°C; 102-105°C; 104-105 °C(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: 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: 97%; 98%
• Empirical Formula (Hill Notation): C5H4Br2N2

DETAILS

Sigma Aldrich - 180505

Packaging
5 g in glass bottle