2,5-dichloropyridin-3-amine

• ChemBase ID: 18450
• Molecular Formular: C5H4Cl2N2
• Molecular Mass: 163.00466
• Monoisotopic Mass: 161.9751535
• SMILES: n1c(c(cc(c1)Cl)N)Cl
• Canonical SMILES: Clc1cnc(c(c1)N)Cl
• InChI: InChI=1S/C5H4Cl2N2/c6-3-1-4(8)5(7)9-2-3/h1-2H,8H2
• InChIKey: OLZPJUVEGSNIJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloropyridin-3-amine
• IUPAC Traditional name: 2,5-dichloropyridin-3-amine
• Synonyms: 2,5-Dichloro-3-pyridinamine; 3-Amino-2,5-dichloropyridine; 2,5-Dichloro-3-aminopyridine; 3-Amino-2,5-dichloropyridine; 3-Amino-2,5-dichloropyridine; 2,5-dichloropyridin-3-amine; 2,5-Dichloropyridin-3-amine; 3-氨基-2,5-二氯吡啶

Database IDs

• CAS Number: 78607-32-6
• MDL Number: MFCD00204157
• PubChem SID: 160981757
• PubChem CID: 2799999

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3549135
• LogD (pH = 7.4): 1.354914
• Log P: 1.354914
• Molar Refractivity: 39.2724 cm^3
• Polarizability: 14.473489 Å^3
• Polar Surface Area: 38.91 Å^2

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Off-White to Pale Beige Solid
• Melting Point: 120-122°C; 120-122°C; 124-129 °C; 124-129°C

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Air Sensitive; IRRITANT; Irritant
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/21/22-36/37/38; 22-37/38-41
• Safety Statements: 26-39; 9-26-36/37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H332-H315-H319-H335; H301-H315-H318-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P361-P405-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H4Cl2N2

DETAILS

Sigma Aldrich - 706817

Packaging
1 g in glass bottle