(4-fluorophenyl)(thiophen-2-yl)methanone

• ChemBase ID: 97200
• Molecular Formular: C11H7FOS
• Molecular Mass: 206.2360832
• Monoisotopic Mass: 206.02016406
• SMILES: s1cccc1C(=O)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C(=O)c1cccs1
• InChI: InChI=1S/C11H7FOS/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7H
• InChIKey: NLTRJPXIYKYMKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)(thiophen-2-yl)methanone
• IUPAC Traditional name: (4-fluorophenyl)(thiophen-2-yl)methanone
• Synonyms: 4-Fluorophenyl 2-thienyl methanone; 4-Fluorophenyl 2-thienyl ketone; (4-Fluorophenyl)-2-thienylmethanone; p-Fluorophenyl-2-thienylketone; 4-Fluorophenyl thien-2-yl ketone 99%; 4-氟苯基-2-噻吩酮

Database IDs

• CAS Number: 579-49-7
• EC Number: 209-442-0
• MDL Number: MFCD00044554
• Beilstein Number: 137007
• PubChem SID: 162083811
• PubChem CID: 68479

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.488182
• LogD (pH = 7.4): 3.488182
• Log P: 3.488182
• Molar Refractivity: 53.7398 cm^3
• Polarizability: 20.317833 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethanol; Ether; Ethyl Acetate; Methanol
• Apperance: White Crystalline Solid
• Melting Point: 93-97°C; 95-96°C; 97-99°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%