Tembotrione
Properties
- Molecular formula
- C17H16ClF3O6S
- Molar mass
- 440.81 g/mol
- Exact mass
- 440.0308 Da
- Density
- 1.56 g/mL (at 20 °C)
- Melting point
- 123 °C
- pKa
- 3.2
- logP
- 2.94Crippen estimate
- Polar surface area
- 94.6 Ų
- H-bond donors / acceptors
- 0 / 6
- Rotatable bonds
- 6
Hazards
Warning
- H317 May cause an allergic skin reactionSensitization, Skin
- H361d Suspected of damaging 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, index 606-149-00-3), via PubChem.
Precautionary statements
P203, P260, P261, P272, P273, P280, P302+P352, P318, P319, P321, P333+P317, P362+P364, P391, P405, P501
Identifiers
CAS number
335104-84-2SMILES
CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1COCC(F)(F)FInChIKey
IUQAXCIUEPFPSF-UHFFFAOYSA-NInChI
InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl]-
- 2-[2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl]-1,3-cyclohexanedione
- BAY 747
- Bayer AE 0172747
- AE 0172747
- Huanhuangtong
Work with Tembotrione
Similar compounds
Sulcotrione99105-77-850 % similar
Mesotrione104206-82-841 % similar
Nitisinone104206-65-735 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.