[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

• ChemBase ID: 70340
• Molecular Formular: C19H22F4O3
• Molecular Mass: 374.3697928
• Monoisotopic Mass: 374.15050744
• SMILES: C1(C(C1C=C(C)C)(C)C)C(=O)OCc1c(c(c(c(c1F)F)COC)F)F
• Canonical SMILES: COCc1c(F)c(F)c(c(c1F)F)COC(=O)C1C(C1(C)C)C=C(C)C
• InChI: InChI=1S/C19H22F4O3/c1-9(2)6-12-13(19(12,3)4)18(24)26-8-11-16(22)14(20)10(7-25-5)15(21)17(11)23/h6,12-13H,7-8H2,1-5H3
• InChIKey: OOWCJRMYMAMSOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
• IUPAC Traditional name: [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
• Synonyms: Dimefluthrin; 2,3,5,6-Tetrafluoro-4-(methoxymethyl)benzyl (1RS,3RS;1RS,3SR)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate; Dimefluthrin; 2,2-二甲基-3-(2-甲基-1-丙烯基)环丙烷羧酸2,3,5,6-四氟-4-(甲氧基甲基)苄酯; 四氟甲醚菊酯

Database IDs

• CAS Number: 271241-14-6
• MDL Number: MFCD09752840
• Beilstein Number: 11644422
• PubChem SID: 162036060
• PubChem CID: 213011

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5180645
• LogD (pH = 7.4): 4.5180645
• Log P: 4.5180645
• Molar Refractivity: 90.0302 cm^3
• Polarizability: 33.649788 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• German water hazard class: 3
• TSCA Listed: false
• Storage Temperature: 2-8°C

Product Information

• Purity: 95+%
• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C19H22F4O3

DETAILS

Sigma Aldrich - 32432

Legal Information
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