Grundinformationen
- Standard-SMILES
COP(N)(=S)Oc1ccccc1C(=O)OC(C)C- InChIKey
YFVOXLJXJBQDEF-UHFFFAOYSA-N- Summenformel
- C11H16NO4PS
- Durchschnittliche Molmasse
- 289,29 g/mol
- Monoisotopische Masse
- 289,05376562
Überblick
Isocarbophos is an organothiophosphate insecticide, a member of salicylates, an isopropyl ester, an organic phosphonate and a phosphonic ester. It has a role as an agrochemical, an avicide and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is functionally related to an isopropyl salicylate.
Namen und Bezeichner
- Bevorzugter Name
- Isocarbophos
- IUPAC
- propan-2-yl 2-[amino(methoxy)phosphinothioyl]oxybenzoate
- Lokaler Name
- Isopropyl-2-[(aminomethoxyphosphinothioyl)oxy]benzoat
- Englischer Name
- Isocarbophos
- Summenformel
- C11H16NO4PS
- Molmasse
- 289.29
Namen und Synonyme
Isocarbophos24353-61-5OptunalIsopropyl 2-((aminomethoxyphosphinothioyl)oxy)benzoateDTXSID7042063O-Methylphosphoramidothioate, O-ester with isopropyl salicylate7741NPW06XO-Methyl phosphoramidothioate, O-ester with isopropyl salicylateBenzoic acid, 2-((aminomethoxyphosphinothioyl)oxy)-, 1-methylethyl esterDTXCID5022063CHEBI:38704Salicylic acid, isopropyl ester, ester with O-methyl phosphoramidothioate
Weitere Namen anzeigen
bay93820ai3-27659Bayer 93820isocarbofos (bsi)Isocarbophos TECHDiazinon Impurity 7isocarbophos solution
Isopropyl salicylate O-ester with O-methylphosphoramidothioatepropan-2-yl 2-{[amino(methoxy)phosphorothioyl]oxy}benzoateBenzoic acid, 2-[(aminomethoxyphosphinothioyl)oxy]-, 1-methylethyl esterpropan-2-yl 2-((amino(methoxy)phosphorothioyl)oxy)benzoateRefChem:791686O-2-isopropoxycarbonylphenyl O-methyl phosphoramidothioate246-192-1Isocarbofos
Datenbank-Bezeichner
- CAS
24353-61-5- PubChem CID
- 90479
- DTXSID
DTXSID7042063- ChEMBL
CHEMBL3185588- ChEBI
CHEBI:38704- UNII
- 7741NPW06X
- EC Number
- 246-192-1
- Nikkaji
- J1.786.837C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 103 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 337
Experimentelle und physikochemische Eigenschaften
PesticidesPesticide (Isocarbophos) -> USDA PDB
LogP2.7
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section168.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7042063]
Physikochemische Eigenschaften
- Schmelzpunkt
- 45 · 45~49℃
- Siedepunkt
- 385.1 · 385.1±44.0 °C(Predicted)
- Dichte
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- Flammpunkt
- 4 °C · 4 °C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- -1.34 · -1.34±0.70(Predicted)
- Farbe
- Off-White
- BRN
- 2946521 · 2946521
- Stabilität
- Hygroscopic
- Major Application
- agricultureenvironmental
- InChI
- 1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18)
- InChIKey
- YFVOXLJXJBQDEF-UHFFFAOYSA-N
- SMILES
- COP(N)(=S)Oc1ccccc1C(=O)OC(C)C
- CAS Datenbank
- 24353 · 24353-61-5(CAS DataBase Reference)
- EPA chemische Informationen
- Isocarbophos (24353-61-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1294
- RTECS-Nr.
- VO4395900
- risk_code
- 11-38-48/20-63-65-67-25-21
- Toxizität
- bird - wild,LD50,oral,750ug/kg (0.75mg/kg),Toxicology and Applied Pharmacology. Vol. 26, Pg. 154, 1973.
- hazard_code
- F;Xn,Xn,F,T
- safety_code
- 36/37-62-45
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 2 OralAcute Tox. 3 Dermal
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationPesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.
Anwendungen
VerwendenIsocarbophos is an organophosphorus pesticide residue found in spicy foods and nuts.
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