2-bromopyridin-4-amine

• ChemBase ID: 13667
• Molecular Formular: C5H5BrN2
• Molecular Mass: 173.0106
• Monoisotopic Mass: 171.96361017
• SMILES: c1cnc(cc1N)Br
• Canonical SMILES: Nc1ccnc(c1)Br
• InChI: InChI=1S/C5H5BrN2/c6-5-3-4(7)1-2-8-5/h1-3H,(H2,7,8)
• InChIKey: GNTGEMWEXKBWBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromopyridin-4-amine
• IUPAC Traditional name: 2-bromopyridin-4-amine
• Synonyms: 2-Bromopyridin-4-amine; 2-Bromo-4-pyridinamine; 4-Amino-2-bromopyridine; 2-Bromo-pyridin-4-ylamine; 4-Amino-2-bromopyridine; 2-Bromopyridin-4-amine; 2-溴-4-吡啶胺; 4-氨基-2-溴吡啶

Database IDs

• CAS Number: 7598-35-8
• EC Number: 000-000-0
• MDL Number: MFCD01646061
• Beilstein Number: 108928
• PubChem SID: 160976974; 24884012
• PubChem CID: 346455

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.69091827
• LogD (pH = 7.4): 0.8974649
• Log P: 0.90092206
• Molar Refractivity: 37.0665 cm^3
• Polarizability: 13.508321 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92-96 °C; 96-99°C; 96-99°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-37/38-41
• Safety Statements: 26-36/37; 26-36/37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H332-H315-H319-H335; H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

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

DETAILS

Sigma Aldrich - 654086

Packaging
1, 5, 25 g in glass bottle