Fospirate
Basic information
- CAS
5598-52-7- Standard SMILES
COP(=O)(OC)Oc1nc(Cl)c(Cl)cc1Cl- InChIKey
XCBOKUAJQWDYNI-UHFFFAOYSA-N- Molecular formula
- C7H7Cl3NO4P
- Average molar mass
- 306.5 g/mol
- Monoisotopic mass
- 304.917828
Overview
Fospirate is a small molecule drug. Fospirate has a monoisotopic molecular weight of 304.92 Da.
Names & identifiers
- Preferred name
- Fospirate
- IUPAC
- dimethyl (3,5,6-trichloro-2-pyridinyl) phosphate
- English name
- Chlorpyrifos-methyl-oxon
- Molecular formula
- C7H7Cl3NO4P
- Molecular weight
- 306.47
Names & synonyms
Fospirate5598-52-7FospiratoFospiratumDimethyl 3,5,6-trichloro-2-pyridyl phosphate7DRC4KN503Phosphoric acid, dimethyl 3,5,6-trichloro-2-pyridinyl esterNSC-195058DTXSID6037512Dimethyl-(3,5,6-trichloro-2-pyridyl) phosphateRefChem:600358DTXCID4017512
Show more names
oms1168ent27521dowco217nsc195058fospiratemethylMethylchlorpyrifos-oxonFampridine Impurity 206
Chlorpyrifos-methyl-oxondimethyl (3,5,6-trichloropyridin-2-yl) phosphateTorelleFospiratFospirate methylChlorpyrifos-methyl oxonFospirate [ANSI]DOWCO 217
Database identifiers
- CAS
5598-52-7- PubChem CID
- 21805
- DTXSID
DTXSID6037512- ChEMBL
CHEMBL1873189- UNII
- 7DRC4KN503
- EC Number
- 803-787-6
- Nikkaji
- J8.024A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 86.5 · 86.5-88°
- form
- solid
- Water Solubility
- 0.3 g/L · 0.3g/L(24 ºC)
- FDA UNII
- 7 DRC4KN503 · 7DRC4KN503
- EPA Substance Registry System
- Fospirate (5598-52-7)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H302
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn,N
- Risk Statements
- 22 · 22-50
- Safety Statements
- 61 · 61
- RTECS
- 5450000 · TC5450000
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Acute Toxicity LinkChemical: FOSPIRATE
Safety data
- rtecs
- TC5450000
- risk_code
- 22-50
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 61
- Hazard statements
- H400-H302
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationINSECTICIDES
Applications
UsesAnthelmintic (veterinary).
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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