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Basic information
- Standard SMILES
COP(N)(=S)Oc1ccccc1C(=O)OC(C)C- InChIKey
YFVOXLJXJBQDEF-UHFFFAOYSA-N- Molecular formula
- C11H16NO4PS
- Average molar mass
- 289.293 g/mol
- Monoisotopic mass
- 289.05376562
Names & identifiers
- Preferred name
- Isocarbophos
- IUPAC
- Propan-2-yl 2-{[amino(methoxy)phosphorothioyl]oxy}benzoate
- English name
- Isocarbophos
- Molecular formula
- C11H16NO4PS
- Molecular weight
- 289.29
Names & synonyms
Database identifiers
- 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
Properties
Physicochemical properties
- Melting point
- 45 · 45~49℃
- Boiling point
- 385.1 · 385.1±44.0 °C(Predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- Flash point
- 4 °C · 4 °C
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- -1.34 · -1.34±0.70(Predicted)
- color
- Off-White
- BRN
- 2946521 · 2946521
- Stability
- 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 DataBase Reference
- 24353 · 24353-61-5(CAS DataBase Reference)
- FDA UNII
- 7741 NPW06X · 7741NPW06X
- EPA Substance Registry System
- Isocarbophos (24353-61-5)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300-H311
- Precautionary statements
- 264 · P264-P270-P280-P301+P310-P302+P352+P312-P361+P364
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- F;Xn,Xn,F,T
- Risk Statements
- 11 · 11-38-48/20-63-65-67-25-21
- Safety Statements
- 36 · 36/37-62-45
- RIDADR
- 1294 · UN 1294
- WGK Germany
- 3 · 3
- RTECS
- 4395900 · VO4395900
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 2 OralAcute · Acute Tox. 2 OralAcute Tox. 3 Dermal
- Toxicity
- 50 · bird - wild,LD50,oral,750ug/kg (0.75mg/kg),Toxicology and Applied Pharmacology. Vol. 26, Pg. 154, 1973.
Safety & regulation
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- VO4395900
- ridadr
- UN 1294
- Toxicity
- bird - wild,LD50,oral,750ug/kg (0.75mg/kg),Toxicology and Applied Pharmacology. Vol. 26, Pg. 154, 1973.
- risk_code
- 11-38-48/20-63-65-67-25-21
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- F;Xn,Xn,F,T
- safety_code
- 36/37-62-45
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H300-H311
- Hazard Classifications
- Acute Tox. 2 OralAcute Tox. 3 Dermal
- Precautionary statements
- P264-P270-P280-P301+P310-P302+P352+P312-P361+P364
Chemistry & industry
Applications
DescriptionIsocarbophos is a broad-spectrum organophosphorus insecticide used to control a variety of leaf-eating and soil insects on rice, fruit and other crops1-3. It can control various kinds of pests such as aphids, spider mite, borers and leaf rollers. However, it is an insecticide without EU regulatory approval for use. It has a moderate level of water solubility. It has caused environmental pollution in many areas but little is known regarding its environmental fate1-2. It is highly toxic to mammals and also has a high potential for bioaccumulation. It is an acetyl cholinesterase inhibitor and a neurotoxin1.
UsesIsocarbophos is an organophosphorus pesticide residue found in spicy foods and nuts.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: Isocarbophos is an organothiophosphate insecticide, an organic phosphonate, a phosphonic ester, a member of salicylates and an isopropyl ester. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical and an avicide. It is functionally related to an isopropyl salicylate.
Related reactions
No reaction records under the current filter.
Linked notes
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