6-chloropyridin-3-amine

• ChemBase ID: 13744
• Molecular Formular: C5H5ClN2
• Molecular Mass: 128.5596
• Monoisotopic Mass: 128.01412585
• SMILES: c1(cnc(cc1)Cl)N
• Canonical SMILES: Clc1ccc(cn1)N
• InChI: InChI=1S/C5H5ClN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
• InChIKey: QAJYCQZQLVENRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloropyridin-3-amine
• IUPAC Traditional name: 6-chloropyridin-3-amine
• Synonyms: 5-Amino-2-chloropyridine; 6-Chloro-3-pyridinamine; 6-chloropyridin-3-amine; 5-Amino-2-chloropyridine; 6-Chloropyridin-3-amine; 5-氨基-2-氯吡啶

Database IDs

• CAS Number: 5350-93-6
• EC Number: 226-322-3
• MDL Number: MFCD00006243
• Beilstein Number: 108891
• PubChem SID: 24851317; 160977051
• PubChem CID: 79305

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.750829
• LogD (pH = 7.4): 0.7508688
• Log P: 0.7508693
• Molar Refractivity: 34.4676 cm^3
• Polarizability: 12.50644 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80-82°C; 80-84°C; 81 - 83°C; 81-83 °C(lit.); 81-84°C
• Hydrophobicity(logP): 1.154

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• 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 - 188778

Packaging
1, 5 g in glass bottle