Fenpyroximate

C₂₄H₂₇N₃O₄CAS 134098-61-6421.50 g/mol

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Ester Ether Oxime

Properties

Molecular formula: C₂₄H₂₇N₃O₄
Molar mass: 421.50 g/mol
Exact mass: 421.2002 Da
Density: 1.25 g/mL (at 20 °C)
Flash point: 85 °C (closed cup)
logP: 5.03Crippen estimate
Polar surface area: 74.9 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 7
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H317 May cause an allergic skin reactionSensitization, Skin
H330 Fatal if inhaledAcute toxicity, inhalation
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 607-713-00-1), via PubChem.

Precautionary statements

P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P333+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

134098-61-6

SMILES

Cc1nn(C)c(Oc2ccccc2)c1/C=N/OCc1ccc(C(=O)OC(C)(C)C)cc1

InChIKey

YYJNOYZRYGDPNH-MFKUBSTISA-N

InChI

InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+

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Names and synonyms

21 names · show all

Benzoic acid, 4-[[[(E)-[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino]oxy]methyl]-, 1,1-dimethylethyl ester
Benzoic acid, 4-[[[[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino]oxy]methyl]-, 1,1-dimethylethyl ester, (E)-
NNI 850
Danitron
Ortus
Naja
Naja (pesticide)
Fenpyroxymate
Acari
Acari (pesticide)
Assault
Fenpiroximate
Kendo
FujiMite
Kiron
(E)-Fenpyroximate
tert-Butyl 4-([[(E)-1,3-dimethyl-5-phenoxypyrazol-4-yl]methyl]aminooxymethyl)benzoate
Portal
Ortus 05SC
NAI 2399-2
Pyromite

Work with Fenpyroximate

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.

1,1-Dimethylethyl 4-[[[[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino]oxy]methyl]benzoate111812-58-9Stereo not defined

Similar compounds

tert-Butyl 4-(bromomethyl)benzoate108052-76-237 % similar tert-Butyl 4-(chloromethyl)benzoate121579-86-037 % similar 1,1-Dimethylethyl 4-methylbenzoate13756-42-835 % similar tert-Butyl 4-aminobenzoate18144-47-334 % similar tert-Butyl 4-iodobenzoate120363-13-532 % similar 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-332 % similar 4-(tert-Butoxycarbonyl)phenylboronic acid850568-54-631 % similar Methyl 4-benzyloxybenzoate32122-11-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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