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84332-86-5 molecular structure
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ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate

ChemBase ID: 156400
Molecular Formular: C13H11Cl2NO5
Molecular Mass: 332.13614
Monoisotopic Mass: 331.00142782
SMILES and InChIs

SMILES:
CCOC(=O)C1(C(=O)N(C(=O)O1)c1cc(cc(c1)Cl)Cl)C
Canonical SMILES:
CCOC(=O)C1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl
InChI:
InChI=1S/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3
InChIKey:
IGUYEXXAGBDLLX-UHFFFAOYSA-N

Cite this record

CBID:156400 http://www.chembase.cn/molecule-156400.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate
IUPAC Traditional name
chlozolinate
Synonyms
Ethyl 3-(3,5-dichlorophenyl)-5- methyl-2,4-dioxo-5-oxazolidinecarboxyate
Chlozolinate solution
3-(3,5-二氯苯基)-5-甲基-2,4-二氧代-1,3-噁唑烷-5-羧酸乙酯
乙菌利 溶液
CAS Number
84332-86-5
EC Number
203-806-2
MDL Number
MFCD00143964
PubChem SID
162250538
PubChem CID
51574

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
33743 external link Add to cart Please log in.
Data Source Data ID
PubChem 51574 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.29845  LogD (pH = 7.4) 3.29845 
Log P 3.29845  Molar Refractivity 73.5913 cm3
Polarizability 29.21302 Å3 Polar Surface Area 72.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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
100 ng/μL in cyclohexane expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Empirical Formula (Hill Notation)
C13H11Cl2NO5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 33743 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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