5-(trifluoromethyl)pyridin-2-amine

• ChemBase ID: 6608
• Molecular Formular: C6H5F3N2
• Molecular Mass: 162.1125096
• Monoisotopic Mass: 162.04048283
• SMILES: c1(cnc(cc1)N)C(F)(F)F
• Canonical SMILES: Nc1ccc(cn1)C(F)(F)F
• InChI: InChI=1S/C6H5F3N2/c7-6(8,9)4-1-2-5(10)11-3-4/h1-3H,(H2,10,11)
• InChIKey: RSGVKIIEIXOMPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(trifluoromethyl)pyridin-2-amine
• IUPAC Traditional name: 5-(trifluoromethyl)pyridin-2-amine
• Synonyms: 5-Trifluoromethyl-2-pyridinamine; 2-Amino-5-(trifluoromethyl)pyridine; 5-(Trifluoromethyl)pyridin-2-amine; 2-Amino-5-(trifluoromethyl)pyridine 98%; 5-(trifluoromethyl)pyridin-2-amine; 2-Amino-5-(trifluoromethyl)pyridine; 2-氨基-5-(三氟甲基)吡啶

Database IDs

• CAS Number: 74784-70-6; 34486-24-3
• EC Number: 000-000-0
• MDL Number: MFCD00042164
• Beilstein Number: 4800784
• PubChem SID: 160969915; 24885821
• PubChem CID: 735862

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0344614
• LogD (pH = 7.4): 1.3915039
• Log P: 1.3989534
• Molar Refractivity: 34.8887 cm^3
• Polarizability: 11.89563 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42-44°C; 45-49 °C; 45-49°C; 47 - 49°C
• Boiling Point: 90-92°C/20mm; 90-92/20mbar°C
• Flash Point: 104 °C; 219.2 °F
• Hydrophobicity(logP): 1.417

Safety Information

• Storage Warning: 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
• Safety Statements: 26-36/37-45; 26-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H319-H335; H301-H315-H319-H335
• GHS Precautionary statements: P261-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%; 96%; 97%; 98%
• Empirical Formula (Hill Notation): C6H5F3N2

DETAILS

Sigma Aldrich - 684716

Packaging
1 g in glass bottle
250 mg in glass bottle