Chlorpyrifos oxon

CAT: 0926-FC20412-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-FC20412-01Size:10 mg

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CAS Number

5598-15-2

Synonyms

Phosphoric acid diethyl 3,5,6-trichloro-2-pyridinyl ester;6-Trichloro-2-pyridyl diethyl phosphate; Chloropyrifos oxon

Smiles

CCOP (=O) (OCC) OC1=NC (=C (C=C1Cl) Cl) Cl

Molecular Formula

C9H11Cl3NO4P

Molecular Weight

334.52 g/mol

Controlled

Chemical Information

Chlorpyrifos oxon

Chlorpyrifos oxon examines the risk of acute toxicity in soil microbes by comparing data on environmental concentrations of these pesticides to toxic concentrations. In animals, chlorpyrifos transforms to chlorpyrifos-oxon, which is about 3000 times as potent against the nervous system as chlorpyrifos itself.

CAS Number	5598-15-2
PubChem CID	21804
IUPAC Name	diethyl (3,5,6-trichloro-2-pyridinyl) phosphate
Molecular Formula	C9H11Cl3NO4P
Molecular Weight	334.5
XLogP	3.5
Topological Polar Surface Area	57.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	18
Formal Charge	0
Complexity	300

SMILES

CCOP(=O)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3

InChIKey

OTMOUPHCTWPNSL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5598-15-2

CID: 21804

Formula: C9H11Cl3NO4P

MW: 334.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	334.5
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	332.949128
Monoisotopic Mass	332.949128
Topological Polar Surface Area	57.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	300
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

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Chlorpyrifos oxon

Chemical Information

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