2,6-dichloropyridin-4-amine

• ChemBase ID: 15001
• Molecular Formular: C5H4Cl2N2
• Molecular Mass: 163.00466
• Monoisotopic Mass: 161.9751535
• SMILES: c1c(nc(cc1N)Cl)Cl
• Canonical SMILES: Nc1cc(Cl)nc(c1)Cl
• InChI: InChI=1S/C5H4Cl2N2/c6-4-1-3(8)2-5(7)9-4/h1-2H,(H2,8,9)
• InChIKey: WAEZOSSWRXDWAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloropyridin-4-amine
• IUPAC Traditional name: 2,6-dichloropyridin-4-amine
• Synonyms: 2,6-Dichloropyridin-4-amine; 4-Amino-2,6-dichloropyridine; 2,6-Dichloropyridin-4-amine; 2,6-Dichloro-4-amino pyridine; NSC 136573; 2,6-Dichloro-4-aminopyridine; 4-Amino-2,6-dichloropyridine; 2,6-Dichloro-4-pyridinamine; 2,6-二氯-4-氨基吡啶; 4-氨基-2,6-二氯吡啶

Database IDs

• CAS Number: 2587/2/2; 2587-02-2
• EC Number: 000-000-0
• MDL Number: MFCD00052832
• Beilstein Number: 114351
• PubChem SID: 24880230; 160978308
• PubChem CID: 137652

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5750716
• LogD (pH = 7.4): 1.5750909
• Log P: 1.5750911
• Molar Refractivity: 40.3337 cm^3
• Polarizability: 14.517821 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169-173 °C(lit.); 172-176°C; 174-176°C

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H315-H319-H335; 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: 97%; 98%; 98+%
• Empirical Formula (Hill Notation): C5H4Cl2N2

DETAILS

Sigma Aldrich - 565342

Packaging
5 g in glass bottle

REFERENCES

• Altenbach, R., et al.: J. Med. Chem., 51, 6571 (2008)
• Namba, K., et al.: Bioorg. Med. Chem., 16, 6131 (2008)