Triadimenol

C₁₄H₁₈ClN₃O₂CAS 55219-65-3295.77 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether

Properties

Molecular formula: C₁₄H₁₈ClN₃O₂
Molar mass: 295.77 g/mol
Exact mass: 295.1088 Da
Density: 1.22 g/mL
Melting point: 124 °C
Water solubility: 120 mg/L (20 °C)
logP: 2.92Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H360 May damage fertility or the unborn childReproductive toxicity
H362 May cause harm to breast-fed childrenReproductive toxicity, effects on or via lactation
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-322-00-7), via PubChem.

Precautionary statements

P203, P260, P263, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, P501

Identifiers

CAS number

55219-65-3

SMILES

CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1

InChIKey

BAZVSMNPJJMILC-UHFFFAOYSA-N

InChI

InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

16 names · show all

1H-1,2,4-Triazole-1-ethanol, β-(4-chlorophenoxy)-α-(1,1-dimethylethyl)-
β-(4-Chlorophenoxy)-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
Baytan
Bayfidan
Baytan TF 3479B
Bayfidan EW
Baytan 15
UK 199
Spinnaker
KWG 0519
Shavit
Photon 60GR
Vydine
Baytan N
Tribute
Tribute (fungicide)

Work with Triadimenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Triadimenol A89482-17-7Defined stereoisomer

Similar compounds

Paclobutrazol76738-62-061 % similar Triadimefon43121-43-354 % similar Uniconazole83657-22-144 % similar Diniconazole83657-24-338 % similar Tebuconazole107534-96-337 % similar Tebuconazole80443-41-037 % similar Climbazole38083-17-936 % similar Cyproconazole113096-99-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook