6-(trifluoromethyl)pyridin-2-amine

• ChemBase ID: 10390
• Molecular Formular: C6H5F3N2
• Molecular Mass: 162.1125096
• Monoisotopic Mass: 162.04048283
• SMILES: c1c(nc(cc1)N)C(F)(F)F
• Canonical SMILES: Nc1cccc(n1)C(F)(F)F
• InChI: InChI=1S/C6H5F3N2/c7-6(8,9)4-2-1-3-5(10)11-4/h1-3H,(H2,10,11)
• InChIKey: NFYYDQMFURPHCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(trifluoromethyl)pyridin-2-amine
• IUPAC Traditional name: 6-(trifluoromethyl)pyridin-2-amine
• Synonyms: 6-(trifluoromethyl)pyridin-2-amine; 2-Amino-6-(trifluoromethyl)pyridine; 2-Amino-6-(trifluoromethyl)pyridine; 6-Trifluoromethyl-2-pyridinamine; 2-氨基-6-(三氟甲基)吡啶

Database IDs

• CAS Number: 34486-24-3
• EC Number: 000-000-0
• MDL Number: MFCD03093868
• Beilstein Number: 473259
• PubChem SID: 160973697; 24884482
• PubChem CID: 821024

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7827781
• LogD (pH = 7.4): 1.7847782
• Log P: 1.7848037
• Molar Refractivity: 34.5167 cm^3
• Polarizability: 11.898528 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85-89 °C; 86 - 88°C; 86-89°C; 88-89°C
• Hydrophobicity(logP): 1.417

Safety Information

• Storage Warning: IRRITANT, TOXIC; Irritant/Toxic
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 21-25-36/37/38; 25-36/37/38-43
• Safety Statements: 26-36/37-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H315-H317-H319-H335; H301-H312-H315-H319-H335
• GHS Precautionary statements: P261-P264-P280-P301 + P310-P305 + P351 + P338; P280H-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 95%; 97%; 98%; 98+%

DETAILS

Sigma Aldrich - 660574

Application
用于通过一锅法合成相应的 7-氮杂吲哚的底物。1
包装
100, 500 mg in glass bottle