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61949-77-7 molecular structure
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(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 and InChIs

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

Cite this record

CBID:158444 http://www.chembase.cn/molecule-158444.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
61949-77-7
EC Number
203-806-2
MDL Number
MFCD00145431
Beilstein Number
4153590
PubChem SID
162252580
PubChem CID
43859

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
36893 external link Add to cart Please log in.
Data Source Data ID
PubChem 43859 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.6960993  LogD (pH = 7.4) 5.6960993 
Log P 5.6960993  Molar Refractivity 114.2824 cm3
Polarizability 40.698902 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
-.4 °F expand Show data source
-18 °C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1145 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-38-50/53-65-67 expand Show data source
Safety Statements
9-16-25-33-60-61-62 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H304-H315-H336-H410 expand Show data source
GHS Precautionary statements
P210-P261-P273-P301 + P310-P331-P501 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1145 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
10 ng/μL in cyclohexane expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 36893 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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INTERNET

INTERNET

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