Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester
Basic information
- CAS
102850-52-2- Standard SMILES
CCOP(=S)(Cl)c1ccccc1- InChIKey
FVIHUXZNJJCGPC-UHFFFAOYSA-N- Molecular formula
- C8H10ClOPS
- Average molar mass
- 220.66 g/mol
- Monoisotopic mass
- 219.9878508
Names & identifiers
- Preferred name
- Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester
- IUPAC
- chloro-ethoxy-phenyl-sulfanylidene-λ5-phosphane
- English name
- O-ethyl phenylchloridothiophosphonate
- Molecular formula
- C8H10ClOPS
- Molecular weight
- 220.656161
Names & synonyms
Phenylphosphonochloridothioic acid O-ethyl ester5075-13-8Ethyl P-phenylphosphonochloridothioateEINECS 225-781-7Phosphonochloridothioic acid, P-phenyl-, O-ethyl esterDTXSID50884130RefChem:862340DTXCID70876214o-ethyl phenylphosphonochloridothioatePhosphonochloridothioic acid, phenyl-, O-ethyl esterO-Ethyl phenylchloridothiophosphonate102850-52-2
Show more names
O-ethyl phenyl phosphonochloridothioateChlorophenylthiophosphinic acid O-ethyl ester
SCHEMBL10895041DTXSID30275764O-ethyl phenylphosphonochlorido-thioateNS00045383
Database identifiers
- CAS
102850-52-2、5075-13-8- PubChem CID
- 78758
- DTXSID
DTXSID30275764- EC Number
- 225-781-7
- Nikkaji
- J24.885A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 137.5 °C · 137.5°C
- Density
- 1.3351 g/cm3 · 1.3351 g/cm3
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- Phosphonochloridothioic acid, phenyl-, O-ethyl ester (5075-13-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphonochloridothioic acid, P-phenyl-, O-ethyl ester: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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