4-bromopyridin-2-amine

• ChemBase ID: 29882
• Molecular Formular: C5H5BrN2
• Molecular Mass: 173.0106
• Monoisotopic Mass: 171.96361017
• SMILES: c1cnc(cc1Br)N
• Canonical SMILES: Brc1ccnc(c1)N
• InChI: InChI=1S/C5H5BrN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
• InChIKey: BAQKUNMKVAPWGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromopyridin-2-amine
• IUPAC Traditional name: 4-bromopyridin-2-amine
• Synonyms: 2-Amino-4-bromopyridine; 4-Bromopyridin-2-amine; 2-Amino-4-bromopyridine 95%; 4-Bromo-2-pyridinamine; 4-Bromopyridin-2-ylamine; 2-Amino-4-bromopyridine; 2-氨基-4-溴吡啶

Database IDs

• CAS Number: 84249-14-9
• MDL Number: MFCD01646115
• PubChem SID: 160993189
• PubChem CID: 693282

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8998638
• LogD (pH = 7.4): 1.2815827
• Log P: 1.2898576
• Molar Refractivity: 36.5378 cm^3
• Polarizability: 13.460554 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Off-White to Beige Solid
• Melting Point: 136-138°C; 142-146 °C; 142-146°C; 144-147°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-36
• Safety Statements: 26; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H315-H319-H335; H302-H319
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338

Product Information

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

DETAILS

Sigma Aldrich - 720224

Packaging
1 g in glass bottle