Mepronil

HCID 41632
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Basic information

CAS
55814-41-0
Standard SMILES
Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1
InChIKey
BCTQJXQXJVLSIG-UHFFFAOYSA-N
Molecular formula
C17H19NO2
Average molar mass
269.34 g/mol
Monoisotopic mass
269.14157885

Overview

Mepronil is a member of the class of benzamides, obtained by formal condensation of the carboxy group of 2-methylbenzoic acid with the amino group of 3-(ispropyloxy)aniline. A fungicide used to control diseases caused by Basidomycetes including Rhizoctonia and Puccinia spp. It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. It is a member of benzamides, an aromatic ether and a benzanilide fungicide.

Names & identifiers

Preferred name
Mepronil
IUPAC
2-methyl-N-(3-propan-2-yloxyphenyl)benzamide
English name
Mepronil
Molecular formula
C17H19NO2
Molecular weight
269.34

Names & synonyms

MEPRONIL55814-41-0Basitac3'-Isopropoxy-2-methylbenzanilideMepronil [ISO]3'-Isopropoxy-o-toluanilideMepronil (pesticide)2-Methyl-3'-isopropoxybenzanilideBenzamide, 2-methyl-N-(3-(1-methylethoxy)phenyl)-2-Methyl-N-(3-(1-methylethoxy)phenyl)benzamideKCO-1DTXSID1037565
Show more names
BI 2459MeproilBASITAC(R)Mepronil scBasitac(TM)MEPRONILSTANDARD
QJK1MXY8DWBRN 2381749B1-24592-methyl-N-[3-(propan-2-yloxy)phenyl]benzamideDTXCID9017565CHEBI:818232-Methyl-N-[3-(1-Methylethoxy)phenyl]benzamideBenzamide, 2-methyl-N-[3-(1-methylethoxy)phenyl]-

Database identifiers

CAS
55814-41-0
PubChem CID
41632
DTXSID
DTXSID1037565
ChEMBL
CHEMBL1615095
ChEBI
CHEBI:81823
UNII
QJK1MXY8DW
EC Number
611-317-4
Nikkaji
J22.320D

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
20

Experimental & physicochemical properties

Pesticides · 4 items

Fungicides

Active substance -> EU Pesticides database: Not approved

Fungicides

Pesticide (Mepronil) -> USDA PDB

LogP3.5
Collision Cross Section180.1 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1037565]

Physicochemical properties

Melting point
84 · 84-89°C
Boiling point
412.48 °C · 412.48°C (rough estimate)
Density
1.0483 · 1.0483 (rough estimate)
vapor pressure
5.6 x · 5.6 x 10-5 Pa (20 °C)
refractive index
1.54 · 1.5400 (estimate)
storage temp.
0 · 0-6°C

Safety & regulation

GHS classification

GHS Classification · 2 items

Not Classified

Not Classified

Hazard information

Regulatory Information2002/2076
Hazard Classes and CategoriesHazardous to the aquatic environment (Acute) - Category 2

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
2
rtecs
CV5581700
hs_code
29242990
Toxicity
LD50 oral in rabbit: > 10gm/kg
Storage Class
11 - Combustible Solids

Chemistry & industry

Uses & manufacturing

Use ClassificationFungicides

Applications

UsesMepronil is used to control Basidiomycetes diseases in rice, cereals, potatoes, vegetables, sugar beet, fruit, vines, tobacco, turf grass and other crops.

UsesMepronil is an benzanilide based fungicide found in the raw materials of herbal medicine.

Upstream & downstream products

Suppliers49 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Additional notes · 1 item

DefinitionChEBI: A member of the class of benzamides, obtained by formal condensation of the carboxy group of 2-methylbenzoic acid with the amino group of 3-(ispropyloxy)aniline. A fungicide used to control diseases caused by Basidomycetes including Rhizoctonia

Related reactions

12 records
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Compound notes

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