1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-1-penten-3-ol | CAS No. 83657-24-3

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

Basic Information

CAS Number

83657-24-3

Molecular Formula

C15H17Cl2N3O

Molecular Weight

326.23 g/mol

AD

Basic Physical Properties

Melting Point

134-156°C

Boiling Point

501.1°C at 760 mmHg

Density

1.32

Flash Point

256.8 °C

Refractive Index

1.592

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

InChIKey

FBOUIAKEJMZPQG-UHFFFAOYSA-N

LogP

3.990000000000003

Topological Polar Surface Area

50.94 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

384

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 in male, female rats (mg/kg): 639, 474 orally; >5000, >5000 dermally (Takano)

Synonyms & References

English

  • Sumi-8
  • Diniconazole
  • Sumi
  • Tox21_300887
  • Spotless, Mixor
  • 1H-1,2,4-Triazole-1-ethanol,b-[(2,4-dichlorophenyl)methylene]-a-(1,1-dimethylethyl)-, (bE)-
  • DTXSID2040363
  • (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
  • (E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol
  • SCHEMBL21284
  • Sumi 8-12.5WP
  • DTXCID0020363
  • 1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (E)-
  • 76714-88-0
  • 1H-1,2,4-Triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-
  • X82HVO1N83
  • A840628
  • Rac-diniconazole
  • XE-779 L
  • NCGC00254791-01
  • (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
  • 83657-24-3
  • Q27157324
  • NCGC00168303-01
  • 70217-36-6
  • CHEMBL135386
  • Spotless
  • (E)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl-1-penten-3-ol
  • CAS-83657-24-3
  • FBOUIAKEJMZPQG-AWNIVKPZSA-N
  • SCHEMBL21286

MDL Number

MFCD01678675

Customs Code

3808999000

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