6-chloropyridin-2-amine

• ChemBase ID: 21378
• Molecular Formular: C5H5ClN2
• Molecular Mass: 128.5596
• Monoisotopic Mass: 128.01412585
• SMILES: c1c(nc(cc1)Cl)N
• Canonical SMILES: Nc1cccc(n1)Cl
• InChI: InChI=1S/C5H5ClN2/c6-4-2-1-3-5(7)8-4/h1-3H,(H2,7,8)
• InChIKey: OBYJTLDIQBWBHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloropyridin-2-amine
• IUPAC Traditional name: 6-chloropyridin-2-amine
• Synonyms: 6-Chloro-2-pyridinamine; 2-Amino-6-chloropyridine; 6-chloropyridin-2-amine; 2-Amino-6-chloropyridine; 2-Amino-6-chloropyridine; 6-Chloropyridin-2-amine; 6-Chloro-pyridin-2-ylamine; 6-氯-2-吡啶胺; 2-氨基-6-氯吡啶

Database IDs

• CAS Number: 45644-21-1
• EC Number: 000-000-0
• MDL Number: MFCD00234068
• Beilstein Number: 108669
• PubChem SID: 160984685
• PubChem CID: 206246

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3442286
• LogD (pH = 7.4): 1.345313
• Log P: 1.3453268
• Molar Refractivity: 34.7811 cm^3
• Polarizability: 12.518738 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69-72°C; 69-73 °C; 69-73°C; 70-72°C
• Hydrophobicity(logP): 1.154

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• RTECS: US1813350
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H315-H319-H335; H302-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): C5H5ClN2

DETAILS

Sigma Aldrich - 675865

Application
Substrate used in a Ni(II)-catalyzed homo-coupling providing diamino-2,2′-bipyridine.1
Packaging
5 g in glass bottle