Cyproconazole
Properties
- Molecular formula
- C15H18ClN3O
- Molar mass
- 291.78 g/mol
- Exact mass
- 291.1138 Da
- Density
- 1.25 g/mL
- Melting point
- 107.5 °C
- Boiling point
- above 250 °C
- Water solubility
- 140 mg/L (25 °C)
- logP
- 2.87Crippen estimate
- Polar surface area
- 50.9 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 5
Hazards
Danger
- H301 Toxic if swallowedAcute toxicity, oral
- H360D May damage the unborn childReproductive toxicity
- H373 May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P203, P260, P264, P270, P273, P280, P301+P316, P318, P319, P321, P330, P391, P405, P501
Identifiers
CAS number
113096-99-4SMILES
CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1InChIKey
UFNOUKDBUJZYDE-UHFFFAOYSA-NInChI
InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- 1H-1,2,4-Triazole-1-ethanol, α-(4-chlorophenyl)-α-(1-cyclopropylethyl)-
- α-(4-Chlorophenyl)-α-(1-cyclopropylethyl)-1H-1,2,4-triazole-1-ethanol
- SAN 619F
- Alto
- SN 108266
- Atemi C
- Atemi
- Alto 100SL
- Alto 100
- Alto 240EC
- Caddy
- Atemi 10 pepite
- 2-(4-Chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Work with Cyproconazole
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
Boiling point under vacuumAt any pressure, from its normal boiling point
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.
Similar compounds
Tebuconazole107534-96-347 % similar
Tebuconazole80443-41-047 % similar
Myclobutanil88671-89-045 % similar
(2R,3R)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2,3-butanediol133775-25-441 % similar
Hexaconazole79983-71-441 % similar
(αS,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanenitrile241479-74-339 % similar
Difenoconazole119446-68-339 % similar
6-Chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol188416-35-538 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds