3-chloropyridin-2-amine

• ChemBase ID: 28680
• Molecular Formular: C5H5ClN2
• Molecular Mass: 128.5596
• Monoisotopic Mass: 128.01412585
• SMILES: c1cnc(c(c1)Cl)N
• Canonical SMILES: Clc1cccnc1N
• InChI: InChI=1S/C5H5ClN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)
• InChIKey: RZJPBQGRCNJYBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloropyridin-2-amine
• IUPAC Traditional name: 3-chloropyridin-2-amine
• Synonyms: 3-Chloropyridin-2-amine; 2-Amino-3-chloropyridine; 3-Chloro-pyridin-2-ylamine; 2-Amino-3-chloropyridine; 3-Chloro-2-pyridinamine; 3-chloropyridin-2-amine; 2-氨基-3-氯吡啶

Database IDs

• CAS Number: 39620-04-7
• MDL Number: MFCD03541052
• PubChem SID: 160991987
• PubChem CID: 693267

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9851071
• LogD (pH = 7.4): 1.1230478
• Log P: 1.1251496
• Molar Refractivity: 33.7198 cm^3
• Polarizability: 12.475166 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59-62°C; 60 - 64°C; 60-64 °C; 60-64°C
• Partition Coefficient: 0.997
• Hydrophobicity(logP): 1.154

Safety Information

• Storage Warning: Harmful/Corrosive/Store under Argon; IRRITANT
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-37/38-41
• Safety Statements: 26-36/37; 26-39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H332-H315-H319-H335; H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280H-P305+P351+P338

Product Information

• Purity: 92%; 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H5ClN2

DETAILS

Sigma Aldrich - 734691

Packaging
1 g in glass bottle