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26002-80-2 molecular structure
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(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 and InChIs

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

Cite this record

CBID:128918 http://www.chembase.cn/molecule-128918.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
26002-80-2
EC Number
247-404-5
MDL Number
MFCD00078716
Beilstein Number
8788185
PubChem SID
24862280
24899087
162223220
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

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.5717673  LogD (pH = 7.4) 5.5717673 
Log P 5.5717673  Molar Refractivity 103.8383 cm3
Polarizability 40.722153 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
<25 °C expand Show data source
Boiling Point
>290 °C expand Show data source
RTECS
GZ1975000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3082 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
20/21/22-50/53 expand Show data source
R36 R38 expand Show data source
Safety Statements
23-24-60-61 expand Show data source
R expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332-H410 expand Show data source
GHS Precautionary statements
P273-P280-P501 expand Show data source
RID/ADR
UN 3082 9/PG 3 expand Show data source
Target
Others expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
Salt Data
Free Base expand Show data source
Packaging
ampule of 50 mg expand Show data source
Description
mixture of isomers expand Show data source
Empirical Formula (Hill Notation)
C23H26O3 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 36193 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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