1-(methoxymethoxy)-2-(trifluoromethoxy)benzene

• ChemBase ID: 296869
• Molecular Formular: C9H9F3O3
• Molecular Mass: 222.1611696
• Monoisotopic Mass: 222.05037881
• SMILES: COCOc1ccccc1OC(F)(F)F
• Canonical SMILES: COCOc1ccccc1OC(F)(F)F
• InChI: InChI=1S/C9H9F3O3/c1-13-6-14-7-4-2-3-5-8(7)15-9(10,11)12/h2-5H,6H2,1H3
• InChIKey: SUFHTGIPVZIIFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethoxy)-2-(trifluoromethoxy)benzene
• IUPAC Traditional name: 1-(methoxymethoxy)-2-(trifluoromethoxy)benzene
• Synonyms: 1-Methoxymethoxy-2-(trifluoromethoxy)benzene; 1-甲氧基甲氧基-2-(三氟甲氧基)苯

Database IDs

• CAS Number: 851341-36-1
• MDL Number: MFCD09743464
• PubChem SID: 180682400
• PubChem CID: 12179649

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3098116
• LogD (pH = 7.4): 3.3098116
• Log P: 3.3098116
• Molar Refractivity: 41.4445 cm^3
• Polarizability: 17.417685 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 97%