(3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

• ChemBase ID: 128918
• Molecular Formular: C23H26O3
• Molecular Mass: 350.45074
• Monoisotopic Mass: 350.18819469
• SMILES: O=C(OCc1cccc(Oc2ccccc2)c1)C1C(C=C(C)C)C1(C)C
• Canonical SMILES: CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C
• InChI: InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3
• InChIKey: SBNFWQZLDJGRLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
• IUPAC Traditional name: phenothrin
• Synonyms: Phenothrin; Sumithrin; Phenothrine; Phenoxythrin; Sumitrin; Wellcide; Pibutin; Anvil; Duet; Anchimanaito 20S; Phenothrin; Phenothrin; δ-(cis-trans)-Phenothrin; 苯诺茨林; 苯诺茨林; δ-(顺式-反式)-苯诺茨林

Database IDs

• CAS Number: 26002-80-2
• EC Number: 247-404-5
• MDL Number: MFCD00078716
• Beilstein Number: 8788185
• PubChem SID: 24862280; 162223220; 24899087
• PubChem CID: 4767
• CHEBI ID: 34916
• ATC CODE: QP53AC03; P03AC03
• CHEMBL: 1322884
• Chemspider ID: 4603
• KEGG ID: D08357
• MeSH Name: Phenothrin
• Wikipedia Title: Phenothrin

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.5717673
• LogD (pH = 7.4): 5.5717673
• Log P: 5.5717673
• Molar Refractivity: 103.8383 cm^3
• Polarizability: 40.722153 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: <25 °C
• Boiling Point: >290 °C

Safety Information

• RTECS: GZ1975000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 20/21/22-50/53; R36 R38
• Safety Statements: 23-24-60-61; R
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H410
• GHS Precautionary statements: P273-P280-P501
• RID/ADR: UN 3082 9/PG 3

Pharmacology Properties

• Target: Others

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Salt Data: Free Base
• Packaging: ampule of 50 mg
• Description: mixture of isomers
• Empirical Formula (Hill Notation): C23H26O3

DETAILS

Sigma Aldrich - 36193

Legal Information
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