Coumithoate
Basic information
- CAS
572-48-5- Standard SMILES
CCOP(=S)(OCC)Oc1ccc2c3c(c(=O)oc2c1)CCCC3- InChIKey
NSMRHYDOKZAMKJ-UHFFFAOYSA-N- Molecular formula
- C17H21O5PS
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.08473194
Names & identifiers
- Preferred name
- Coumithoate
- IUPAC
- 3-diethoxyphosphinothioyloxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
- English name
- DITION
- Molecular formula
- C17H21O5PS
- Molecular weight
- 368.38
Names & synonyms
COUMITHOATEDition572-48-5501C188SWNDiethyl 7,8,9,10-tetrahydro-6-oxobenzo(c)chroman-3-yl phosphorothioateDTXSID1058131Phosphorothioic acid, O,O-diethyl O-(7,8,9,10-tetrahydro-6-oxo-6H-dibenzo(b,d)pyran-3-yl) ester1-Cyclohexene-1-carboxylic acid, 2-(2,4-dihydroxyphenyl)-, delta-lactone, O-ester with O,O-diethyl phosphorothioatePhosphorothioic acid, O,O-diethyl O-(7,8,9,10-tetrahydro-6-oxo-6H-dibenzo[b,d]pyran-3-yl) esterDiethyl 7,8,9,10-tetrahydro-6-oxobenzo[c]chroman-3-yl phosphorothioateRefChem:1082249DTXCID0031899
Show more names
Thiophosphoric acid O,O-diethyl O-(7,8,9,10-tetrahydro-6-oxo-6H-dibenzo[b,d]pyran-3-yl) estercoumithoate (ISO) O,O-diethyl O-7,8,9,10-tetrahydro-6-oxo-benzo(c)chromen-3-yl phosphorothioate
ChromaphtonCoumithoate [ISO]ENT-24986Chromaphon7-Hydroxy-3,4-tetramethylenecoumarin O,O-diethyl thiophosphateO,O-Diethyl O-(3,4-tetramethylenecoumarinyl-7) thiophosphateO,O-Diethyl 7-hydroxy-3,4-tetramethylene coumarinyl phosphorothioateO,O-Diethyl O-(7,8,9,10-tetrahydro-6-oxobenzo(c)chroman-3-yl)phosphorothioate
Database identifiers
- CAS
572-48-5- PubChem CID
- 11307
- DTXSID
DTXSID1058131- UNII
- 501C188SWN
- Nikkaji
- J6.543I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 551
Physicochemical properties
- Melting point
- 88 · 88-88.5°
- form
- solid
- CAS DataBase Reference
- 572 · 572-48-5
- FDA UNII
- 501 C188SWN · 501C188SWN
- EPA Substance Registry System
- Coumithoate (572-48-5)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 28 · 28-36/37-45
- RIDADR
- 2783 · 2783
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- Toxicity
- 50 orally · LD50 orally in rats: 67 mg/kg (Ben-Dyke)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Acute toxicity - category 3
Acute Tox. 3 *
Safety data
- ridadr
- 2783
- Toxicity
- LD50 orally in rats: 67 mg/kg (Ben-Dyke)
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 28-36/37-45
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
DescriptionCoumithoate is an obsolete organophosphate insecticide. The substance has not been extensively studied and so little information is known regarding its environmental fate, ecotoxicity or impact on human health.
UsesInsecticide.
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Compound notes
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