1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-, sulfate(11)

Basic Information

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CAS Number

58594-72-2

Molecular Formula

C14H16Cl2N2O5S

Molecular Weight

393.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

127-130°C

SMILES

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C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl.OS(=O)(=O)O

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)/p-2

InChIKey

XVTXMTOYQVRHSK-UHFFFAOYSA-L

LogP

2.7958000000000007

Topological Polar Surface Area

107.31 Å²

Hydrogen Bond Donor/Acceptor

0 / 7

Complexity

372

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

AKOS015901789
1-[2-(2,4-dichlorophenyl)-2-(prop-2-en-1-yloxy)ethyl]-1H-imidazole; sulfuric acid
R-27180
1H-imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propen-1-yloxy)ethyl)-, sulfate (1:1)
1-(2-(Allyloxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole sulfate
SCHEMBL41653
XVTXMTOYQVRHSK-UHFFFAOYSA-N
IMAZALILSULFATEPESTANAL
MFCD00186378
60534-80-7
Tox21_112071_1
1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl)-, sulfate (1:1)
CHEMBL1314877
G2BD9F4H2H
1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole;sulfuric acid
Imazalil sulfate [ISO]
imazalil sulphate
Tox21_112071
1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-, sulfate(1:1)
Chloramizol Sulfate
NCGC00163778-02
CAS-58594-72-2
Enilconazole sulfate
DTXSID3034662
SB67305
1-(2-(Allyloxy)ethyl)-2-(2,4-dichlorophenyl)-1H-imidazolium hydrogen sulphate
CS-0132818
FT-0630721
DTXCID1014662
Imazalil (sulfate)
Microban Additive IF 4

MDL Number

MFCD00186378

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-, sulfate(11) (CAS: 58594-72-2)?

The compound has a crystalline form with a molecular weight of approximately 507.1 g/mol. It is soluble in organic solvents but less soluble in water. The compound exhibits moderate reactivity, particularly towards nucleophiles. It is stable under normal conditions but should be stored at room temperature away from strong acids and bases.

How is 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-, sulfate(11) (CAS: 58594-72-2) typically synthesized?

The compound is typically synthesized through a multi-step process involving the reaction of 2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl chloroformate with 1H-imidazole, followed by the addition of sulfuric acid to form the sulfate. The process requires careful control of reaction conditions to ensure high yield and selectivity.

What industries use 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-, sulfate(11) (CAS: 58594-72-2)?

This compound is primarily used in the pharmaceutical industry for the synthesis of drug intermediates, as well as in the polymer industry for the development of functional polymers. It also finds applications in the production of sensors and in the semiconductor industry for the preparation of specialized materials.

What precautions should be taken when handling 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-(2-propenyloxy)ethyl]-, sulfate(11) (CAS: 58594-72-2)?

Handle the compound with care, using appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Always use a fume hood to minimize exposure. In case of spill, neutralize with an appropriate base and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.