Fenthion oxon
Basic information
- CAS
6552-12-1- Standard SMILES
COP(=O)(OC)Oc1ccc(SC)c(C)c1- InChIKey
ZNRZGJAHNMGWQN-UHFFFAOYSA-N- Molecular formula
- C10H15O4PS
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.04286713
Names & identifiers
- Preferred name
- Fenthion oxon
- IUPAC
- dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate
- English name
- FENTHION-OXON
- Molecular formula
- C10H15O4PS
- Molecular weight
- 262.26
Names & synonyms
Fenthion oxonFenthoxonFenoxonBRN 2275764AI3-25564DTXSID1041974PHOSPHORIC ACID, DIMETHYL 4-(METHYLTHIO)-m-TOLYL ESTERm-Cresol, 4-(methylthio)-, dimethyl phosphateRefChem:345412DTXCID9021974ZNRZGJAHNMGWQN-UHFFFAOYSA-N6552-12-1
Show more names
MPP OXONbay35570ent25564bayer35570FENTHION-O-ANALOGMPP OXON STANDARD
BayoxonFENTHION-OXONBayer 35570BAY 35570dimethyl (3-methyl-4-methylsulfanylphenyl) phosphateENT 25564dimethyl (3-methyl-4-(methylthio)phenyl) phosphateDimethyl 4-(methylthio)-m-tolyl phosphate
Database identifiers
- CAS
6552-12-1- PubChem CID
- 23046
- DTXSID
DTXSID1041974- UNII
- XXE94ZT89U
- EC Number
- 881-071-2
- Nikkaji
- J15.132G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 108 °C · 108 °C(Press: 0.01 Torr)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- InChI
- 1S/C10H15O4PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,12-2)13-3/h5-7H,1-4H3
- InChIKey
- ZNRZGJAHNMGWQN-UHFFFAOYSA-N
- SMILES
- O=P(OC1=CC(C)=C(SC)C=C1)(OC)OC
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 8 · GHS08,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H331-H400-H410-H372-H341-H311
- Precautionary statements
- 260 · P260-P264-P270-P314-P501-P273-P391-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P273-P391-P501
- RIDADR
- 3018 · 3018
- WGK Germany
- 1 · WGK 1
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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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. 3 (100%)
Safety data
- wgk
- WGK 1
- ridadr
- 3018
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09,GHS06
- hazard_class
- 6.1(b)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301-H331-H400-H410-H372-H341-H311
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P260-P264-P270-P314-P501-P273-P391-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P273-P391-P501
Chemistry & industry
Pharmacology
Metabolism/MetabolitesFenthion oxon is a known human metabolite of Fenthion.
Applications
UsesA major 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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