1-[2-(trifluoromethyl)phenyl]-1H-imidazole

• ChemBase ID: 8615
• Molecular Formular: C10H7F3N2
• Molecular Mass: 212.1711896
• Monoisotopic Mass: 212.05613289
• SMILES: n1(c2c(cccc2)C(F)(F)F)cncc1
• Canonical SMILES: FC(c1ccccc1n1cncc1)(F)F
• InChI: InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-4-9(8)15-6-5-14-7-15/h1-7H
• InChIKey: WZBWBNCQUTXYEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(trifluoromethyl)phenyl]-1H-imidazole
• IUPAC Traditional name: 1-[2-(trifluoromethyl)phenyl]imidazole
• Synonyms: 1-[2-(Trifluoromethyl)phenyl]-1H-imidazole 98%; TRIM; 1-[2-(Trifluoromethyl)phenyl]imidazole; 1-(2-Trifluoromethylphenyl)imidazole; 1-(2-Trifluoromethylphenyl)imidazole; 1-(2-三氟甲基苯基)咪唑

Database IDs

• CAS Number: 25371-96-4
• EC Number: 000-000-0
• MDL Number: MFCD00041206
• Beilstein Number: 3955637
• PubChem SID: 160971922; 24278754
• PubChem CID: 1359

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1398673
• LogD (pH = 7.4): 2.582027
• Log P: 2.6142588
• Molar Refractivity: 59.9801 cm^3
• Polarizability: 18.478657 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 43-45°C; 50-53°C; 51-53°C
• Boiling Point: 75°C/0.025mm; 75°C/0.25mm; 75°C/0.025mm

Safety Information

• Storage Warning: Irritant; IRRITANT, LIGHT SENSITIVE; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... NOS1(4842), NOS2(4843), NOS2B(201288), NOS2C(645740), NOS3(4846)

Product Information

• Purity: 98%; 98+%

DETAILS

Sigma Aldrich - T7313

Biochem/physiol Actions
Potent nitric oxide synthase inhibitor. Because of the putative involvement of nitric oxide in depression and stress syndromes, TRIM was studied for its antidepressant effects, and found to reduce manifestations of stress in an animal model as well as fluoxetine.1