Chlorpyrifos


PubChem CID 2730
Molecular Formula C9H11Cl3NO3PS
Structure Compound Image
Synonyms
chlorpyrifos
2921-88-2
Dursban
Chlorpyriphos
Lorsban
Trichlorpyrphos
Coroban
Brodan
Chlorpyrifos-ethyl
Equity
Lentrek
Pyrinex
Stipend
Chloropyrifos
Lock-On
Danusban
Killmaster
Piridane
Durmet
Terial
Dowco 179
suSCon
Dursban 4E
Bonidel
Geodinfos
Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) ester
Spannit
Tafaban
Radar
Zidil
Suscon blue
Suscon green
Dursban F
Dursban R
Chlorpyrifos ethyl
O,O-Diethyl O-3,5,6-trichloro-2-pyridyl phosphorothioate
Chlorpyriphos-ethyl
Ethyl chlorpyriphos
Dursban 10CR
Chlorpyrifos (Dursban)
Detmol U.A.
Chloropyriphos
m-Chlorpyrifos
Empire 20
Chlorpyrifos [BAN]
OMS-0971
pridane
Chlorpyrofos
Chlorpyrophos
Pageant
Silrifos
Warhawk
Bolton
Detmol
Tricel
Nufos
XRM 429
XRM 5160
Dursban 2E
ENT 27311
ENT-27311
NSC-755891
JCS58I644W
DTXSID4020458
CHEBI:34631
Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridyl) ester
O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate
Clorpyrifos
O,O-Diethyl O-(3,5,6-trichloro-2-pyridinyl)phosphorothioate
2-Pyridinol, 3,5,6-trichloro-, O-ester with O,O-diethyl phosphorothioate
DTXCID80458
Bonidel; CPF Zamba; Chlora;
MLS001065609
O,O-Diaethyl-O-3,5,6-trichlor-2-pyridylmonothiophosphat
o,o-Diethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothioate
Chlorpyrifos (BAN)
ENT 27,311
Dhanusban
SMR000568474
Grofo
O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) phosphorothioate
O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate
Detmol ua
Radar (fungicide)
CHLORPYRIFOS (MART.)
CHLORPYRIFOS [MART.]
Dursban 44
Lorsban 50SL
Terial 40L
O,O-Diethyl O-(3,5,6-Trichloro-2-pyridyl) phosphorothioate
Caswell No. 219AA
diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]phosphorane
Chlorpyriphos [ISO-French]
CAS-2921-88-2
CCRIS 7144
HSDB 389
Chlorpyrifos [ANSI:BSI:ISO]
EINECS 220-864-4
EPA Pesticide Chemical Code 059101
BRN 1545756
UNII-JCS58I644W
AI3-27311
Ethion, dry
Lorsban 4E
Zodiac (TN)
Chlorpyrifos (ethyl)
TRICHLORPYRIPHOS
DURSBAN TC
Spectrum_001897
O,O-Diethyl O-(3,5,6-trichloro-2-pyridyl) phsophorothioate
SpecPlus_000518
diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane
O,O-Diaethyl-O-3,5,6-trichlor-2-pyridylmonothiophosphat [German]
Spectrum2_001230
Spectrum3_000849
Spectrum4_000689
Spectrum5_002014
CHLORPYRIFOS [MI]
CHLORPYRIFOS [ISO]
CHLORPYRIFOS [HSDB]
cid_2730
Dursban, analytical standard
Analytical grade chlorpyrifos
BIDD:PXR0044
SCHEMBL21680
BSPBio_002437
KBioGR_001157
KBioSS_002427
SPECTRUM330058
DivK1c_006614
SPBio_001080
CHEMBL463210
BDBM74063
KBio1_001558
KBio2_002421
KBio2_004989
KBio2_007557
KBio3_001937
SBPBAQFWLVIOKP-UHFFFAOYSA-
OMS 971
HMS3039C03
HMS3264O03
O,O-Diethyl-O-(3,5,6-trichloro-2-pyridyl)phosphorothiolate
Pharmakon1600-00330058
HY-B0815
Tox21_202383
Tox21_300148
AC-993
CCG-39144
MFCD00041800
NSC755891
O,O-DIETHYL O-3,5,6-TRICHLOROPYRIDIN-2-YL PHOSPHOROTHIOATE
AKOS015891656
Chlorpyrifos 100 microg/mL in Acetone
KS-5372
NSC 755891
USEPA/OPP Pesticide Code: 059101
Chlorpyrifos 1000 microg/mL in Acetone
Chlorpyrifos 1000 microg/mL in Toluene
NCGC00091472-01
NCGC00091472-02
NCGC00091472-03
NCGC00091472-04
NCGC00091472-05
NCGC00091472-06
NCGC00091472-07
NCGC00091472-08
NCGC00091472-09
NCGC00253974-01
NCGC00259932-01
1ST20001
Chlorpyrifos 10 microg/mL in Cyclohexane
Chlorpyrifos 100 microg/mL in Cyclohexane
SBI-0052543.P002
Chlorpyrifos 100 microg/mL in Acetonitrile
CS-0012832
NS00000445
D07688
H10426
AB00053051_06
Chlorpyrifos, PESTANAL(R), analytical standard
A819822
Q414915
SR-01000854727
J-017440
SR-01000854727-2
BRD-K08303368-001-02-7
BRD-K08303368-001-06-8
BRD-K08303368-001-10-0
Chlorpyrifos, certified reference material, TraceCERT(R)
O,O-Diethyl O-3,5,6-trichloro-2-pyridylphosphorothioate
O,O-Diethyl-O-3,5,6-trichloro-2-pyridyl phosphorothioate
diethoxy-thioxo-[(3,5,6-trichloro-2-pyridyl)oxy]phosphorane
O,O-Diethyl o-(3,5,6-trichloro-2-pyridinyl) thiophosphate #
diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy--phosphane
ethyl 3,5,6-trichloropyridin-2-yl ethoxy(sulfanylidene)phosphonite
O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDYL) THIOPHOSPHATE
diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-lambda5-phosphane
diethoxy-sulfanylidene-[3,5,6-tris(chloranyl)pyridin-2-yl]oxy--phosphane
O,O-Diethyl O-(3,5,6-trichloro-2-pyridinyl) phosphorothioic acid ester
O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDYL)PHOSPHOROTHIOIC ACID ESTER
3,5,6-TRICHLORO-2-PYRIDINOL O-ESTER WITH O,O-DIETHYL PHOSPHOROTHIOATE
diethoxy-sulfanylidene-[3,5,6-tris(chloranyl)pyridin-2-yl]oxy-$l^{5}-phosphane
O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDINYL)PHOSPHOROTHIOIC ACID ESTER
PHOSPHOROTHIOIC ACID, O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDINYL)ESTER
PHOSPHOROTHIOIC ACID, O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDYL)ESTER
InChI=1/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3

Computed Descriptors


IUPAC Name diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-lambda5-phosphane
SMILES CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl
Canonical SMILES CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl
InChI InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
InChIKey SBPBAQFWLVIOKP-UHFFFAOYSA-N

Computed Properties

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Molecular Weight 350.6 g/mol
XLogP3 5.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 348.926
Monoisotopic Mass 348.926
Topological Polar Surface Area 72.7
Heavy Atom Count 18
Formal Charge 0
Complexity 303
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

Annotation

  • C471 - Enzyme Inhibitor
  • C47792 - Acetylcholinesterase Inhibitor|D004791 - Enzyme Inhibitors|D010575 - Pesticides
  • D007306 - Insecticides|D016573 - Agrochemicals|D018377 - Neurotransmitter Agents
  • D018678 - Cholinergic Agents
  • D002800 - Cholinesterase Inhibitors
  • 18 pairs of Verified P450 and Chlorpyrifos


    Insect Gene Symbol Validation Reference
    Ectropis obliqua CYP316 R
    Helicoverpa armigera CYP6B7 Y
    Helicoverpa armigera CYP6B7 Y
    Laodelphax striatellus CYP306A2V2 R
    Laodelphax striatellus CYP353D1V2 R
    Laodelphax striatellus CYP6AY3V2 R
    Nilaparvata lugens CYP353D1 R
    Nilaparvata lugens CYP439A1 R
    Nilaparvata lugens CYP4DE1 R
    Nilaparvata lugens CYP6AY1V2 R
    Sogatella furcifera CYP408A3 R
    Sogatella furcifera CYP6CS3 R
    Sogatella furcifera CYP6ER4 R
    Spodoptera exigua CYP321A16 D,X
    Spodoptera exigua CYP332A1 D,X
    Spodoptera litura CYP304F1 C
    Spodoptera litura CYP321B1 R
    Spodoptera frugiperda CYP321A8 R