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50471-44-8 molecular structure
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3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione

ChemBase ID: 130147
Molecular Formular: C12H9Cl2NO3
Molecular Mass: 286.11076
Monoisotopic Mass: 284.99594851
SMILES and InChIs

SMILES:
O=C1OC(C(=O)N1c1cc(Cl)cc(Cl)c1)(C=C)C
Canonical SMILES:
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl
InChI:
InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3
InChIKey:
FSCWZHGZWWDELK-UHFFFAOYSA-N

Cite this record

CBID:130147 http://www.chembase.cn/molecule-130147.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione
IUPAC Traditional name
vinclozolin
Synonyms
3-(3,5-Dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione
(+/-)-Vinclozolin
BAS 352-04F
BAS 35202F
BAS 35204
N-3,5-Dichlorophenyl-5-methyl-5-vinyloxazolidine-2,4-dione
Ornalin
Ranilan
Ronilan
Ronilan 50WP
Vinclozolin
Vinclozoline
Vinclozolin
Vinclozolin solution
乙烯菌核利
乙烯菌核利 溶液
CAS Number
50471-44-8
EC Number
256-599-6
200-835-2
MDL Number
MFCD00055511
Beilstein Number
8331312
PubChem SID
24869515
24899096
24869275
162224431
PubChem CID
39676
CHEMBL
513221
Chemspider ID
36278
KEGG ID
C10981
Wikipedia Title
Vinclozolin

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.744636  LogD (pH = 7.4) 3.744636 
Log P 3.744636  Molar Refractivity 67.0015 cm3
Polarizability 26.229856 Å3 Polar Surface Area 46.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Flash Point
2 °C expand Show data source
35.6 °F expand Show data source
RTECS
RP8530000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1648 expand Show data source
3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
9 expand Show data source
Packing Group
2 expand Show data source
3 expand Show data source
Risk Statements
11-20/21/22-36 expand Show data source
60-61-40-43-51/53 expand Show data source
Safety Statements
16-36/37 expand Show data source
53-45-61 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-H302-H312-H319-H332 expand Show data source
H317-H351-H360-H411 expand Show data source
GHS Precautionary statements
P201-P273-P280-P308 + P313 expand Show data source
P210-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
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 1648 3/PG 2 expand Show data source
UN 3077 9/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Gene Information
mouse ... Esr1(13982) expand Show data source
Concentration
100 ng/μL in acetonitrile expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Empirical Formula (Hill Notation)
C12H9Cl2NO3 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 45914 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Sigma Aldrich - 45705 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Toronto Research Chemicals - V314050 external link
Agricultural fungicide.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Pappas, A.C., et al.: Pestic. Sci., 10, 239 (1979)
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PATENTS

PATENTS

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INTERNET

INTERNET

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