(1E,3R)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol

Basic Information

View in Editor

CAS Number

83657-18-5

Molecular Formula

C15H17Cl2N3O

Molecular Weight

326.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

160-161°

Boiling Point

501.1°C at 760 mmHg

Density

1.4192 (rough estimate)

Flash Point

256.8°C

Refractive Index

1.5490 (estimate)

Specific Rotation

D24 -31.7° (c = 1 in CHCl3)

SMILES

View in Editor

CC(C)(C)C(C(=CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O

InChI

InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+/t14-/m0/s1

InChIKey

FBOUIAKEJMZPQG-BLXFFLACSA-N

LogP

3.9900000000000033

Topological Polar Surface Area

50.94 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

384

Synonyms & References

English

NCGC00164463-01
Diniconazole
(E,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol
(1E,3R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
83657-18-5
DINICONAZOLE, R
DINICONAZOLE (-)-FORM [MI]
UNII-O8QD971Z1G
(.ALPHA.R,.BETA.E)-.BETA.-((2,4-DICHLOROPHENYL)METHYLENE)-.ALPHA.-(1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL
Q27157326
Diniconazole M
Diniconazole (-)
Diniconazole-M [ISO]
CHEMBL1870418
R-(-)-diniconazole
CHEBI:83911
O8QD971Z1G
1H-1,2,4-Triazole-1-ethanol, beta-[(2,4-dichlorophenyl)methylene]-alpha-(1,1-dimethylethyl)-, (alphaR,betaE)-
(E)-(R)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
SCHEMBL41498
Diniconazole-M
1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (alphaR,betaE)-
DINICONAZOLE (-)-FORM
(R)-diniconazole
DTXSID2034548
1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-,(R-(E))-
(R)-S 3308
(-)-diniconazole
R-DINICONAZOLE
(E,3R)-1

FAQ

What is (1E,3R)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol (CAS: 83657-18-5)?

(1E,3R)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol is a complex organic compound with the CAS number 83657-18-5. This molecule contains a 2,4-dichlorophenyl ring, two methyl groups, and a 1H-1,2,4-triazolyl group. It is highly reactive and exhibits properties typical of aromatic and heterocyclic compounds.

What are the main uses of (1E,3R)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol (CAS: 83657-18-5)?

The main uses of (1E,3R)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol (CAS: 83657-18-5) are in pharmaceuticals, where it may serve as an intermediate for the synthesis of other compounds. It can also be used in research for developing new drugs or as a component in certain chemical reactions.

Is (1E,3R)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol (CAS: 83657-18-5) safe?

The safety of (1E,3R)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol (CAS: 83657-18-5) depends on proper handling and use. It is highly reactive and should be handled with caution. Users should follow all safety guidelines, wear appropriate personal protective equipment, and ensure proper ventilation. Storage should be in a cool, dry place away from direct sunlight and heat sources.

How should (1E,3R)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol (CAS: 83657-18-5) be stored?

(1E,3R)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol (CAS: 83657-18-5) should be stored in a tightly sealed container in a cool, dry place, protected from direct sunlight and heat sources. The storage temperature should be below 25°C. It is important to keep it away from incompatible materials and ensure proper ventilation in the storage area.