5-chloropyridin-2-amine

• ChemBase ID: 18895
• Molecular Formular: C5H5ClN2
• Molecular Mass: 128.5596
• Monoisotopic Mass: 128.01412585
• SMILES: c1c(ncc(c1)Cl)N
• Canonical SMILES: Nc1ccc(cn1)Cl
• InChI: InChI=1S/C5H5ClN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)
• InChIKey: MAXBVGJEFDMHNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1072-98-6
• EC Number: 214-020-4
• MDL Number: MFCD00006324
• Beilstein Number: 108735
• PubChem SID: 24890897; 160982202; 24846075
• PubChem CID: 66174

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.047664
• LogD (pH = 7.4): 1.1240761
• Log P: 1.1251496
• Molar Refractivity: 33.7198 cm^3
• Polarizability: 12.460236 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: white crystalline powder
• Melting Point: 135-137 °C; 135-138 °C(lit.); 135-138°C; 135-138°C
• Boiling Point: 127-128 °C/11 mmHg(lit.); 127-128°C/11mm; 127-129°C/21mm; 127-129°C/21mm
• Flash Point: 160 °C; 160°C; 160°C(320°F); 320 °F

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22
• Safety Statements: 22-24/25; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302; H302-H312-H332-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (NT); 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C5H5ClN2

DETAILS

MP Biomedicals - 05209382

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A46803

Packaging
25, 100 g in poly bottle