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Oxathiapiprolin

Oxathiapiprolin structure

CAS No:
1003318-67-9
Formula:
C24H22F5N5O2S
Chemical Name:
Oxathiapiprolin
Synonyms:
Ethanone,1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-3-isoxazolyl]-2-thiazolyl]-1-piperidinyl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-;1-[4-[4-[5-(2,6-Difluorophenyl)-4,5-dihydro-3-isoxazolyl]-2-thiazolyl]-1-piperidinyl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone;1-[4-[4-[5-(2,6-Difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone;Oxathiapiprolin;Zorvec

Description

1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone is an N-acylpiperidine that is N-acetyl 4-(1,3-thiazol-2-yl)piperidine in which the thiazole ring is substituted at position 4 by a 5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl group and in which one of the hydrogens of the acetyl group is replaced by a 5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl group. It is a N-acylpiperidine, a member of 1,3-thiazoles, a member of pyrazoles, an organofluorine compound, an isoxazoline and a tertiary carboxamide.

Oxathiapiprolin Basic Attributes

Molecular Weight：

539.52100

Exact Mass：

539.52

Characteristics

PSA：

100.85000

XLogP3：

4.59040

Appearance：

Off-white crystalline solid

Melting Point：

146.4 °C

Boiling Point：

Decomposes before boiling

Flash Point：

Not expected to self-ignite; Not highly flammable

Vapor Pressure：

1.141 X 10^-3 mPa (25 °C)

Safety Information

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 220 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-(4-(4-(5-(2,6-difluorophenyl)-4,5-dihydro-3-isoxazolyl)-2-thiazolyl)-1-piperidinyl)-2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethanone

Oxathiapiprolin Use and Manufacturing

Use Classification：

Fungicides

Computed Properties

Molecular Weight:539.5
XLogP3:4.4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:539.14143695
Monoisotopic Mass:539.14143695
Topological Polar Surface Area:101
Heavy Atom Count:37
Complexity:848
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes