2,6-dichloropyridin-3-amine

• ChemBase ID: 22455
• Molecular Formular: C5H4Cl2N2
• Molecular Mass: 163.00466
• Monoisotopic Mass: 161.9751535
• SMILES: c1c(nc(c(c1)N)Cl)Cl
• Canonical SMILES: Clc1ccc(c(n1)Cl)N
• InChI: InChI=1S/C5H4Cl2N2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2
• InChIKey: MJVZSRZTBDMYLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloropyridin-3-amine
• IUPAC Traditional name: 3-amino-2,6-dichloropyridine
• Synonyms: 3-Amino-2,6-dichloropyridine; 2,6-Dichloro-3-pyridinamine; 3-Amino-2,6-dichloropyridine; 2,6-Dichloropyridin-3-amine; 2,6-dichloropyridin-3-amine; 2,6-二氯-3-吡啶胺; 3-氨基-2,6-二氯吡啶

Database IDs

• CAS Number: 62476-56-6
• EC Number: 263-559-1
• MDL Number: MFCD00023417
• PubChem SID: 160985762
• PubChem CID: 112846

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5750911
• LogD (pH = 7.4): 1.5750911
• Log P: 1.5750911
• Molar Refractivity: 40.3337 cm^3
• Polarizability: 14.512138 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120-124 °C(lit.); 120-124°C

Safety Information

• Storage Warning: IRRITANT; Toxic/Irritant/Store under Argon
• European Hazard Symbols: Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-41-43
• Safety Statements: 26-28-36/37/39
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H317-H318
• GHS Precautionary statements: P280-P301 + P310-P305 + P351 + P338
• 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): C5H4Cl2N2

DETAILS

Sigma Aldrich - 706361

Packaging
1 g in glass bottle