Isoxathion, min.98% (HPLC)

Name: Isoxathion
Brand: Chempure

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CAS Number

18854-01-8

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IUPAC name	diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-λ5-phosphane
inchi	InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
inchi key	SDMSCIWHRZJSRN-UHFFFAOYSA-N
molecular formula	C13H16NO4PS
synonyms	ISOXATHION 18854-01-8 Karphos O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioate O,O-Diethyl O-5-phenylisoxazol-3-ylphosphorothioate
Compound Description	Isoxathion is an organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group is replaced by a 5-phenyl-1,2-oxazol-3-yl group. It has a role as an EC 3.1.1.7 inhibitor and an agrochemical. It is an organic thiophosphate and an organothiophosphate insecticide. It is functionally related to a 5-phenylisoxazol-3-ol.

Computed Properties

Molecular Weight:	313.31 g/mol
XLogP3:	4.2
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	7
Exact Mass:	313.05376616 Da
Monoisotopic Mass:	313.05376616 Da
Topological Polar Surface Area:	85.8 Å²
Heavy Atom Count:	20
Formal Charge:	0
Complexity:	328
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (100%) Aquatic Acute 1 (100%) Aquatic Chronic 1 (100%) Acute toxicity - category 3 Hazardous to the aquatic environment (acute) - category 1 Hazardous to the aquatic environment (chronic) - category 1 Acute toxicity (Oral) - Category 3 Acute toxicity (Inhalation: Dusts and mists) - Category 4 Skin corrosion/irritation - Category 3 Serious eye damage/eye irritation - Category 2B Specific target organ toxicity - Single exposure - Category 1 (nervous system, pancreas) Hazardous to the aquatic environment (Acute) - Category 1 Hazardous to the aquatic environment (Long-term) - Category 1 Specific target organ toxicity - Single exposure - Category 1 (nervous system) Specific target organ toxicity - Repeated exposure - Category 1 (nervous system) Acute Tox. 3 * Aquatic Acute 1 Aquatic Chronic 1
precautionary statement codes	P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P391, P405, and P501
hazard statements	H301+H311 (100%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal] H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
hazards summary	The average of two baseline respective cholinesterase activity determinations three days apart, with no exposures to enzyme inhibiting pesticides for at least 30 days, is recommended for each worker prior to exposure to cholinesterase inhibitors because of large inter-individual differences in published baseline values. To be established at least once a year. Removal from workplace exposures is recommended until the cholinesterase activity returns to within 20% of baseline.

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About this item

IUPAC name	diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-λ5-phosphane
inchi	InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
inchi key	SDMSCIWHRZJSRN-UHFFFAOYSA-N
molecular formula	C13H16NO4PS
synonyms	ISOXATHION 18854-01-8 Karphos O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioate O,O-Diethyl O-5-phenylisoxazol-3-ylphosphorothioate
Compound Description	Isoxathion is an organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group is replaced by a 5-phenyl-1,2-oxazol-3-yl group. It has a role as an EC 3.1.1.7 inhibitor and an agrochemical. It is an organic thiophosphate and an organothiophosphate insecticide. It is functionally related to a 5-phenylisoxazol-3-ol.

Computed Properties

Molecular Weight:	313.31 g/mol
XLogP3:	4.2
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	7
Exact Mass:	313.05376616 Da
Monoisotopic Mass:	313.05376616 Da
Topological Polar Surface Area:	85.8 Å²
Heavy Atom Count:	20
Formal Charge:	0
Complexity:	328
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (100%) Aquatic Acute 1 (100%) Aquatic Chronic 1 (100%) Acute toxicity - category 3 Hazardous to the aquatic environment (acute) - category 1 Hazardous to the aquatic environment (chronic) - category 1 Acute toxicity (Oral) - Category 3 Acute toxicity (Inhalation: Dusts and mists) - Category 4 Skin corrosion/irritation - Category 3 Serious eye damage/eye irritation - Category 2B Specific target organ toxicity - Single exposure - Category 1 (nervous system, pancreas) Hazardous to the aquatic environment (Acute) - Category 1 Hazardous to the aquatic environment (Long-term) - Category 1 Specific target organ toxicity - Single exposure - Category 1 (nervous system) Specific target organ toxicity - Repeated exposure - Category 1 (nervous system) Acute Tox. 3 * Aquatic Acute 1 Aquatic Chronic 1
precautionary statement codes	P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P391, P405, and P501
hazard statements	H301+H311 (100%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal] H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
hazards summary	The average of two baseline respective cholinesterase activity determinations three days apart, with no exposures to enzyme inhibiting pesticides for at least 30 days, is recommended for each worker prior to exposure to cholinesterase inhibitors because of large inter-individual differences in published baseline values. To be established at least once a year. Removal from workplace exposures is recommended until the cholinesterase activity returns to within 20% of baseline.

Product No: DT8603

Isoxathion, min.98% (HPLC)

Product No: DT8603

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: DT8603

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?