[1-(trifluoromethyl)cyclopropyl]benzene

• ChemBase ID: 18474
• Molecular Formular: C10H9F3
• Molecular Mass: 186.1736696
• Monoisotopic Mass: 186.06563495
• SMILES: C1CC1(c1ccccc1)C(F)(F)F
• Canonical SMILES: FC(C1(CC1)c1ccccc1)(F)F
• InChI: InChI=1S/C10H9F3/c11-10(12,13)9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
• InChIKey: RBZAHILDWCBKFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(trifluoromethyl)cyclopropyl]benzene
• IUPAC Traditional name: [1-(trifluoromethyl)cyclopropyl]benzene
• Synonyms: 1-(Trifluoromethylcyclopropyl)benzene; 1-(Trifluoromethylcyclopropyl)benzene; 1-Phenyl-1-(trifluoromethyl)cyclopropane; [1-(Trifluoromethyl)cycloprop-1-yl]benzene; 1-(三氟甲基环丙基)苯

Database IDs

• CAS Number: 883547-73-7
• MDL Number: MFCD08059543
• PubChem SID: 160981781
• PubChem CID: 20405523

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4190032
• LogD (pH = 7.4): 3.4190032
• Log P: 3.4190032
• Molar Refractivity: 43.8542 cm^3
• Polarizability: 16.126364 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106-107°C/25mm
• Boiling Point: 106-107°C/25mm
• Refractive Index: 1.4550

Safety Information

• Storage Warning: Flammable/Irritant; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%