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398118-62-2

398118-62-2 Structure

398118-62-2 Structure
IdentificationBack Directory
[Name]

Methyl 2,4-dichloroasterrate >=95% (LC/MS-UV)
[CAS]

398118-62-2
[Synonyms]

Methyl 2,4-dichloroasterrate
Methyl 2,4-dichloroasterrate >=95% (LC/MS-UV)
Benzoic acid, 3,5-dichloro-2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methyl-, methyl ester
[Molecular Formula]

C18H16Cl2O8
[MOL File]

398118-62-2.mol
[Molecular Weight]

431.22
Chemical PropertiesBack Directory
[Boiling point ]

544.5±50.0 °C(Predicted)
[density ]

1.452±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO: 1mg/mL
[form ]

solid
[pka]

7.30±0.33(Predicted)
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChI]

1S/C18H16Cl2O8/c1-7-12(19)14(22)11(18(24)27-4)16(13(7)20)28-15-9(17(23)26-3)5-8(21)6-10(15)25-2/h5-6,21-22H,1-4H3
[InChIKey]

UWTOESDPWKUNBD-UHFFFAOYSA-N
[SMILES]

CC1=C(Cl)C(O)=C(C(OC)=O)C(OC2=C(C(OC)=O)C=C(O)C=C2OC)=C1Cl
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

metabolomics
vitamins, nutraceuticals, and natural products
[Biological Activity]

Cytotoxicantimicrobialantinematodal activity
398118-62-2 suppliers list
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