2-chloropyridin-4-amine

• ChemBase ID: 13730
• Molecular Formular: C5H5ClN2
• Molecular Mass: 128.5596
• Monoisotopic Mass: 128.01412585
• SMILES: c1cc(cc(n1)Cl)N
• Canonical SMILES: Nc1ccnc(c1)Cl
• InChI: InChI=1S/C5H5ClN2/c6-5-3-4(7)1-2-8-5/h1-3H,(H2,7,8)
• InChIKey: BLBDTBCGPHPIJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloropyridin-4-amine
• IUPAC Traditional name: 2-chloropyridin-4-amine
• Synonyms: (2-Chloropyridin-4-yl)amine; 2-Chloro-4-aminopyridine; 2-Chloro-4-pyridinamine; 2-Chloropyridin-4-amine; 2-chloropyridin-4-amine; 4-Amino-2-chloropyridine; 4-Amino-2-chloropyridine; 4-Amino-2-chloropyridine; 4-氨基-2-氯吡啶

Database IDs

• CAS Number: 14432-12-3
• EC Number: 238-403-0
• MDL Number: MFCD00060089
• Beilstein Number: 108671
• PubChem SID: 160977037; 24874285
• PubChem CID: 84432

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.63790977
• LogD (pH = 7.4): 0.7492322
• Log P: 0.7508693
• Molar Refractivity: 34.4676 cm^3
• Polarizability: 12.515003 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Off-White Solid
• Melting Point: 86 - 88°C; 90-94 °C(lit.); 90-94°C; 91-94°C; 92-94°C
• Boiling Point: 153°C/5mm
• Hydrophobicity(logP): 1.154

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: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H5ClN2

DETAILS

Sigma Aldrich - 522937

Packaging
10 g in glass bottle

Toronto Research Chemicals - A603625

An aminopyridine derivative with potential herbicidal activity.

REFERENCES

• Xiao, Y. et al.: Nongyao, 42, 15 (2003)