CAS 54864-61-8 Myclozolin (HCID 92350)

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Basic information

CAS: 54864-61-8
Standard SMILES: COCC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIKey: FTCOKXNKPOUEFH-UHFFFAOYSA-N
Molecular formula: C12H11Cl2NO4
Average molar mass: 304.12 g/mol
Monoisotopic mass: 303.00651319

Overview

Myclozolin is a dichlorophenyl dicarboximide fungicide.

Names & identifiers

Preferred name: Myclozolin
IUPAC: 3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione
English name: MECLOZOLIN
Molecular formula: C12H11Cl2NO4
Molecular weight: 304.13

Names & synonyms

Myclozolin54864-61-89152XLB1NYBAS-436BAS-43600FBAS-43603F3-(3,5-Dichlorophenyl)-5-(methoxymethyl)-5-methyloxazolidine-2,4-dioneRefChem:1048411259-379-8Myclozolin [ISO]MECLOZOLIN3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-1,3-oxazolidine-2,4-dione

Show more names

BAS-436Fmyclozolin (bsi, iso)2,4-Oxazolidinedione, 3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-

EINECS 259-379-8myclozolineUNII-9152XLB1NYMeclozolynSCHEMBL163211CHEBI:82063MYCLOZOLIN, (+/-)-DTXSID80866449

Database identifiers

CAS: 54864-61-8
PubChem CID: 92350
DTXSID: DTXSID80866449
ChEBI: CHEBI:82063
UNII: 9152XLB1NY
EC Number: 259-379-8
Nikkaji: J21.662C

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 382

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Henry's Law Constant: 3.7 · 3.7×102 mol/(m3Pa) at 25℃, MacBean (2012)
FDA UNII: 9152 XLB1NY · 9152XLB1NY

Chemistry & industry

Applications

DescriptionMyclozolin is a rarely used fungicide. It has a low mammalian toxicity. There is a scarcity of published data relating to the human risks of myclozolin and to its environmental fate and impacts on biodiversity.