5-chloropyridine-2,3-diamine

• ChemBase ID: 88387
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: n1c(c(cc(c1)Cl)N)N
• Canonical SMILES: Clc1cnc(c(c1)N)N
• InChI: InChI=1S/C5H6ClN3/c6-3-1-4(7)5(8)9-2-3/h1-2H,7H2,(H2,8,9)
• InChIKey: ZRCMCGQDIYNWDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloropyridine-2,3-diamine
• IUPAC Traditional name: 5-chloropyridine-2,3-diamine
• Synonyms: 2,3-Diamino-5-chloropyridine; 5-Chloro-2,3-diaminopyridine; 5-Chloropyridine-2,3-diamine; 2,3-DIAMINO-5-CHLOROPYRIDINE; 2,3-二氨基-5-氯吡啶; 5-氯-2,3-二氨基吡啶

Database IDs

• CAS Number: 25710-20-7
• MDL Number: MFCD01230986
• Beilstein Number: 119434
• PubChem SID: 162075346
• PubChem CID: 1268254

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.107988685
• LogD (pH = 7.4): 0.2932138
• Log P: 0.2962237
• Molar Refractivity: 38.4202 cm^3
• Polarizability: 13.624458 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 170 - 175°C; 170-174°C; 170-174°C; 170-175 °C
• Hydrophobicity(logP): -1.193

Safety Information

• Storage Warning: Air Sensitive; Harmful/Irritant/Air Sensitive/Store under Argon
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38; 20/21/22-36/37/38-43
• Safety Statements: 22-26-36/37-60; 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H317-H319-H332-H335; H331-H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 97%; 98%; 98+%
• Empirical Formula (Hill Notation): C5H6ClN3

DETAILS

Sigma Aldrich - 714623

Packaging
5 g in glass bottle