(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

• ChemBase ID: 158444
• Molecular Formular: C21H20Cl2O3
• Molecular Mass: 391.2877
• Monoisotopic Mass: 390.07894986
• SMILES: CC1([C@@H]([C@H]1C(=O)OCc1cccc(c1)Oc1ccccc1)C=C(Cl)Cl)C
• Canonical SMILES: ClC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl
• InChI: InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m1/s1
• InChIKey: RLLPVAHGXHCWKJ-MJGOQNOKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
• IUPAC Traditional name: (3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
• Synonyms: trans-Permethrin solution; 反式-氯菊脂 溶液

Database IDs

• CAS Number: 61949-77-7
• EC Number: 203-806-2
• MDL Number: MFCD00145431
• Beilstein Number: 4153590
• PubChem SID: 162252580
• PubChem CID: 43859

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.6960993
• LogD (pH = 7.4): 5.6960993
• Log P: 5.6960993
• Molar Refractivity: 114.2824 cm^3
• Polarizability: 40.698902 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: -.4 °F; -18 °C

Safety Information

• European Hazard Symbols: Flammable (F); Nature polluting (N); Harmful (Xn)
• UN Number: 1145
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-38-50/53-65-67
• Safety Statements: 9-16-25-33-60-61-62
• GHS Pictograms: GHS02; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H315-H336-H410
• GHS Precautionary statements: P210-P261-P273-P301 + P310-P331-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1145 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 10 ng/μL in cyclohexane
• Grade: PESTANAL®, analytical standard

DETAILS

Sigma Aldrich - 36893

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