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  • Fenpyroximate
Name:Fenpyroximate
CAS No:134098-61-6

PRODUCT DESCRIPTION

【Name】
Fenpyroximate
【CAS Registry number】
111812-58-9;134098-61-6
【Synonyms】
KIRON
DANITORON
DANITRON
PAMANRIN
ORTUS
FENPYROXIMATE PESTANAL, 100 MG
Benzoic acid, 4-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methyleneaminooxymethyl-, 1,1-dimethylethyl ester
fenpyroximate (bsi, draft e-iso)
n-Octyl acrylate
1,1-dimethylethyl (e)-4-(((((1,3-dimethyl-5-phenoxy-1h-pyrazol-4-yl)methylene)amino)oxy)methyl)benzoate
tert-butyl (e)-4-(((((1,3-dimethyl-5-phenoxy-1h-pyrazol-4-yl)methylene)amino)oxy)methyl)benzoate
【Molecular Formula】
C24H27N3O4 (Products with the same molecular formula)
【Molecular Weight】
421.49
【Inchi】
InChI=1/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+
【Canonical SMILES】
CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C
【Isomers smiles】
CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C
【MOL File】
111812-58-9;134098-61-6.mol

Chemical and Physical Properties

【Density】
1.13 g/cm3
【Melting Point】
99-102℃
【Boiling Point】
546.2 °C at 760 mmHg
【Vapour】
1.98E-12mmHg at 25°C
【Refractive Index】
1.549
【Flash Point】
284.1 °C
【Computed Properties】
Molecular Weight:421.48888 [g/mol]
Molecular Formula:C24H27N3O4
XLogP3-AA:4.9
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:9
Exact Mass:421.200156
MonoIsotopic Mass:421.200156
Topological Polar Surface Area:74.9
Heavy Atom Count:31
Formal Charge:0
Complexity:592
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:9
Conformer Sampling RMSD:1
CID Conformer Count:138

Safety and Handling

【Hazard Codes】
Xn,N:;
【Risk Statements】
R20
【Safety Statements 】
S22
【Transport】
UN 3077 9/PG 3

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