3,5-dichloropyridin-2-amine

• ChemBase ID: 60347
• Molecular Formular: C5H4Cl2N2
• Molecular Mass: 163.00466
• Monoisotopic Mass: 161.9751535
• SMILES: c1(cnc(c(c1)Cl)N)Cl
• Canonical SMILES: Clc1cnc(c(c1)Cl)N
• InChI: InChI=1S/C5H4Cl2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
• InChIKey: OCWBGKZFOYMCCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloropyridin-2-amine
• IUPAC Traditional name: 3,5-dichloropyridin-2-amine
• Synonyms: 2-Amino-3,5-dichloropyridine; 3,5-Dichloropyridin-2-amine; 2-Amino-3,5-dichloropyridine 97+%; 3,5-Dichloro-2-pyridinamine; 3,5-Dichloropyridin-2-amine; 2-氨基-3,5-二氯吡啶

Database IDs

• CAS Number: 4214-74-8
• EC Number: 224-143-5
• MDL Number: MFCD00006313
• Beilstein Number: 119376
• PubChem SID: 162026088; 24848245
• PubChem CID: 77886

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7275884
• LogD (pH = 7.4): 1.729174
• Log P: 1.7291943
• Molar Refractivity: 38.5246 cm^3
• Polarizability: 14.424132 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81 - 83°C; 81-83 °C(lit.); 81-83°C; 81-83°C
• Hydrophobicity(logP): 1.91

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; 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): C5H4Cl2N2

DETAILS

Sigma Aldrich - 135925

Packaging
25, 100 g in poly bottle