Isomerism | A chiral molecule. The technical material is an isomeric equimolar mixture of the R- and S-forms. |
Chemical formula | C15H17ClN4 |
Canonical SMILES | CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl |
Isomeric SMILES | No data |
International Chemical Identifier key (InChIKey) | HZJKXKUJVSEEFU-UHFFFAOYSA-N |
International Chemical Identifier (InChI) | InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3 |
Pesticide type | Fungicide |
Substance group | Triazole |
Minimum active substance purity | 925 g/kg 1:1 racemic mixture |
Known relevant impurities | EU dossier - 1-methyl-2-pyrrolidinone <1g/kg |
Substance origin | Synthetic |
Mode of action | Broad spectrum, systemic with protective, eradicative and curative action. Disrupts membrane function by inhibiting sterol biosynthesis. |
CAS RN | 88671-89-0 |
EC number | 410-400-0 |
CIPAC number | 442 |
US EPA chemical code | 128857 |
PubChem CID | 6336 |
Molecular mass (g mol-1) | 288.78 |
PIN (Preferred Identification Name) | - |
IUPAC name | (RS)-2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile |
CAS name | α-butyl-α-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile |
Isomerism | A molecule with 2 chiral features leading to four stereoisomers. |
Chemical formula | C15H17Cl2N3O2 |
Canonical SMILES | CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl |
Isomeric SMILES | No data |
International Chemical Identifier key (InChIKey) | STJLVHWMYQXCPB-UHFFFAOYSA-N |
International Chemical Identifier (InChI) | InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3 |
Pesticide type | Fungicide |
Substance group | Triazole |
Minimum active substance purity | 930 g/kg |
Known relevant impurities | EU dossier - None declared |
Substance origin | Synthetic |
Mode of action | Systemic with curative and protective action, works via the demethylation of C-14 during ergosterol biosynthesis |
CAS RN | 60207-90-1 |
EC number | 262-104-4 |
CIPAC number | 408 |
US EPA chemical code | 122101 |
PubChem CID | 43234 |
Molecular mass (g mol-1) | 342.22 |
PIN (Preferred Identification Name) | - |
IUPAC name | (2RS,4RS;2RS,4SR)-1-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-ylmethyl]-1H-1,2,4-triazole |
CAS name | 1-((2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole |