1-[2-(2,4-dichlorophenyl)-2-(prop-2-en-1-yloxy)ethyl]-1H-imidazole; sulfuric acid

• ChemBase ID: 157483
• Molecular Formular: C14H16Cl2N2O5S
• Molecular Mass: 395.25824
• Monoisotopic Mass: 394.01569798
• SMILES: C=CCOC(Cn1ccnc1)c1ccc(cc1Cl)Cl.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1
• InChI: InChI=1S/C14H14Cl2N2O.H2O4S/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16;1-5(2,3)4/h2-6,8,10,14H,1,7,9H2;(H2,1,2,3,4)
• InChIKey: XVTXMTOYQVRHSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2,4-dichlorophenyl)-2-(prop-2-en-1-yloxy)ethyl]-1H-imidazole; sulfuric acid
• IUPAC Traditional name: imazalil; sulfuric acid
• Synonyms: 1-[2-(2,4-Dichlorophenyl)-2-(2-propenyloxy)ethyl]-1H-imidazole sulfate; Enilconazole sulfate; Imazalil sulfate; 1-[2-(2,4-Dichlorophenyl)-2-(2-propen-1-yloxy)ethyl]-1H-imidazole Sulfate; Chloramizol Sulfate; Microban Additive IF 4; R 27180; Imazalil Sulfate; 1-[2-(烯丙氧基)乙基-2-(2,4-二氯苯基)]-1H-咪唑硫酸盐; 恩康唑硫酸盐; 抑霉唑硫酸盐

Database IDs

• CAS Number: 58594-72-2; 58594-72-2
• EC Number: 261-351-5
• MDL Number: MFCD00186378
• PubChem SID: 162251620; 24860752
• PubChem CID: 173636

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.224851
• LogD (pH = 7.4): 3.689347
• Log P: 3.7550557
• Molar Refractivity: 78.0081 cm^3
• Polarizability: 30.066034 Å^3
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-43-50/53
• Safety Statements: 24/25-37-46-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H317-H410
• GHS Precautionary statements: P273-P280-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C14H14Cl2N2O · H2SO4

DETAILS

Sigma Aldrich - 33997

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - I268500

Imazalil Sulfate is an imidazole derivative used as a fungicide. Imazalil Sulfate controlled epidermis anthracnosis caused by Colletotrichum musae and crown rot in harvested bananas. Imazalil Sulfate is used for fungal protection of citrus fruits such as

REFERENCES

• Frossard, P. et al.: Fruits, 361 (1976)
• Van Gestel, J. et al.: Plant Dis. Rep., 63, 283 (1976)
• Laencina, J. et al.: EFCE Pub. Ser., 12, 295 (1976)
• Coppens, L. et al.: Meded. Fac. Landbouw. Uni. Gent., 49, 351 (1976)