cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

• ChemBase ID: 156981
• Molecular Formular: C22H18Cl2FNO3
• Molecular Mass: 434.2876232
• Monoisotopic Mass: 433.06477702
• SMILES: CC1(C(C1C(=O)OC(C#N)c1ccc(c(c1)Oc1ccccc1)F)C=C(Cl)Cl)C
• Canonical SMILES: N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl
• InChI: InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3
• InChIKey: QQODLKZGRKWIFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
• IUPAC Traditional name: β-cyfluthrin
• Synonyms: Cyfluthrin; Baythroid®; β-Cyfluthrin; Cyfluthrin; 氟氯氰菊酯; Baythroid® 氟氯氰菊脂; β-氟氯氰菊酯; 氟氯氰菊酯

Database IDs

• CAS Number: 68359-37-5
• EC Number: 269-855-7
• MDL Number: MFCD00078636
• Beilstein Number: 2788149
• PubChem SID: 24899118; 24869635; 162251118
• PubChem CID: 104926

CALCULATED PROPERTIES

• Acid pKa: 10.311151
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.586683
• LogD (pH = 7.4): 5.586158
• Log P: 5.5866895
• Molar Refractivity: 119.308 cm^3
• Polarizability: 42.115524 Å^3
• Polar Surface Area: 59.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 23-28-50/53
• Safety Statements: 28-36/37/39-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H331-H410
• GHS Precautionary statements: P261-P264-P273-P301 + P310-P311-P501
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 250 mg
• Description: mixture of isomers
• Empirical Formula (Hill Notation): C22H18Cl2FNO3

DETAILS

Sigma Aldrich - 46003

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 33738

Legal Information
Baythroid is a registered trademark of Bayer AG
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 45410

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - PS1090

Legal Information
Baythroid is a registered trademark of Bayer AG