5-bromopyridin-2-amine

• ChemBase ID: 12193
• Molecular Formular: C5H5BrN2
• Molecular Mass: 173.0106
• Monoisotopic Mass: 171.96361017
• SMILES: c1c(ncc(c1)Br)N
• Canonical SMILES: Nc1ccc(cn1)Br
• InChI: InChI=1S/C5H5BrN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)
• InChIKey: WGOLHUGPTDEKCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromopyridin-2-amine
• IUPAC Traditional name: 5-bromopyridin-2-amine
• Synonyms: 2-Amino-5-bromopyridine; 2-Amino-5-bromopyridine; 5-Bromo-2-aminopyridine; 5-Bromo-2-pyridinamine; 5-Bromopyridin-2-ylamine; NSC 26282; 5-Bromopyridin-2-amine; 5-bromopyridin-2-amine; 2-氨基-5-溴吡啶

Database IDs

• CAS Number: 1072-97-5
• EC Number: 214-019-9
• MDL Number: MFCD00006323
• Beilstein Number: 108737
• PubChem SID: 24847511; 160975500
• PubChem CID: 70622

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1651797
• LogD (pH = 7.4): 1.2880232
• Log P: 1.2898576
• Molar Refractivity: 36.5378 cm^3
• Polarizability: 13.464492 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133-138 °C(lit.); 135-140°C; 136-138°C

Safety Information

• Storage Warning: IRRITANT; Toxic/Irritant/Light Sensitive/Store under Argon
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2811
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/21/22-36/37/38; 22-36/37/38
• Safety Statements: 26; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H302-H312-H332-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

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

DETAILS

MP Biomedicals - 05201475

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 122858

Application
Used in a synthesis of polycyclic azaarenes.1
Packaging
5, 25 g in glass bottle