Fenoxon sulfoxide
Basic information
- CAS
6552-13-2- Standard SMILES
COP(=O)(OC)Oc1ccc(S(C)=O)c(C)c1- InChIKey
GTZCKTIZOGTWQO-UHFFFAOYSA-N- Molecular formula
- C10H15O5PS
- Average molar mass
- 278.26 g/mol
- Monoisotopic mass
- 278.03778175
Overview
structure in first source
Names & identifiers
- Preferred name
- Fenoxon sulfoxide
- IUPAC
- dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate
- English name
- Fenthion-oxon-sulfoxide
- Molecular formula
- C10H15O5PS
- Molecular weight
- 278.26
Names & synonyms
Fenthion oxon sulfoxideFenoxon sulfoxide6552-13-24INR988S1IPhosphoric acid, dimethyl 3-methyl-4-(methylsulfinyl)phenyl esterPHOSPHORIC ACID, DIMETHYL 4-(METHYLSULFINYL)-m-TOLYL ESTERDTXSID6042288RefChem:140186DTXCID4022288Fenthoxon SulfoxideBayer 35681FENTHION-OXON-SULFOXIDE
Show more names
bay35681ent25565bayer35681fenoxonsulfoxideFENOXONSULPHOXIDEMPP OXON SULFOXIDEMPP OXON SULFOXIDE STANDARDFENTHION-O-ANALOGUE-SULFOXIDE
dimethyl (3-methyl-4-methylsulfinylphenyl) phosphateBAY 35681ENT 25565Dimethyl 4-(methylsulfinyl)-m-tolyl phosphateDimethyl 3-methyl-4-(methylsulfinyl)phenyl phosphate4-methanesulfinyl-3-methylphenyl dimethyl phosphateFenthion-oxon-sulfoxide 10 microg/mL in AcetonitrileUNII-4INR988S1I
Database identifiers
- CAS
6552-13-2- PubChem CID
- 23047
- DTXSID
DTXSID6042288- UNII
- 4INR988S1I
- EC Number
- 694-896-6
- Nikkaji
- J20.687C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- BRN
- 8686237 · 8686237
- Major Application
- agricultureenvironmental
- InChI
- 1S/C10H15O5PS/c1-8-7-9(5-6-10(8)17(4)12)15-16(11,13-2)14-3/h5-7H,1-4H3
- InChIKey
- GTZCKTIZOGTWQO-UHFFFAOYSA-N
- SMILES
- O=P(OC)(OC)OC1=CC(C)=C(S(C)=O)C=C1
- FDA UNII
- 4 INR988S1I · 4INR988S1I
- UNSPSC Code
- 77101502 · 77101502
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300
- Precautionary statements
- 264 · P264-P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2783 · 2783
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
H300 (97.5%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (97.5%)
Safety data
- wgk
- 1
- rtecs
- TC4985000
- ridadr
- 2783
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- hazard_class
- 6.1(a)
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- Hazard statements
- H300
- Hazard Classifications
- Acute Tox. 2 Oral
- Precautionary statements
- P264-P301+P310
Chemistry & industry
Applications
UsesA metabolite of Fenthion (FEN)
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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