Basic information
- CAS
3811-49-2- Standard SMILES
COP1(=S)OCc2ccccc2O1- InChIKey
OUNSASXJZHBGAI-UHFFFAOYSA-N- Molecular formula
- C8H9O3PS
- Average molar mass
- 216.2 g/mol
- Monoisotopic mass
- 216.00100232
Names & identifiers
- Preferred name
- Salithion
- IUPAC
- 2-methoxy-2-sulfanylidene-4H-1,3,2lambda5-benzodioxaphosphinine
- English name
- Salithion
- Molecular formula
- C8H9O3PS
- Molecular weight
- 216.19
Names & synonyms
DioxabenzofosSalithion3811-49-24H-1,3,2-Benzodioxaphosphorin, 2-methoxy-, 2-sulfide2-Methoxy-4H-1,3,2-benzodioxaphosphorin 2-sulfide6ZWK96BZW6Phosphorothioic acid, cyclic O,O-(methylene-o-phenylene) O-methyl esterDTXSID7041885RefChem:588762DTXCID5021885223-292-3Dioxabenzophos
Show more names
SalibalSalibassaFenfosphorinioxabenzofosSalibal powdersalithion (jmaf)
Salithion-sumitomo2-methoxy-4H-1,3,2-benzodioxaphosphorin-2-sulfide2-Methoxy-4H-1,2,3-benzodioxaphosphorine-2-sulfideK-94H-(1.3.2)Benzodioxaphosphorine, 2-methoxy-, 2-sulfideFenphosphorin2-methoxy-2-sulfanylidene-4H-1,3,2lambda5-benzodioxaphosphinine90293-16-6
Database identifiers
- CAS
3811-49-2、90293-10-0、90293-16-6- PubChem CID
- 19657
- DTXSID
DTXSID7041885- ChEMBL
CHEMBL226967- ChEBI
CHEBI:82120- UNII
- 6ZWK96BZW6
- EC Number
- 223-292-3
- Nikkaji
- J26.478D、J3.062G、J367.636F、J367.637D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
Kovats Retention Index
1600；1609；1645；1663.9；1593；1633.5；1625；1645
1672；1672
2674
Physicochemical properties
- Melting point
- 55 · 55-56℃ (methanol )
- Boiling point
- 274 ℃ · approximate 274℃
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- 0 · 0-6°C
- Water Solubility
- 58 mg/L · 58mg/L(30 ºC)
- BRN
- 1875270 · 1875270
- Henry's Law Constant
- 4.7 · 4.7×10-1 mol/(m3Pa) at 25℃, MacBean (2012)
- InChI
- 1S/C8H9O3PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3
- InChIKey
- OUNSASXJZHBGAI-UHFFFAOYSA-N
- SMILES
- COP1(=S)OCc2ccccc2O1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 ZWK96BZW6 · 6ZWK96BZW6
- EPA Substance Registry System
- Dioxabenzofos (3811-49-2)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H312-H411
- Precautionary statements
- 264 · P264-P270-P273-P280-P301+P310-P302+P352+P312
- Hazard Codes
- T,N
- Risk Statements
- 24 · 24/25-39/25-51/53
- Safety Statements
- 36 · 36/37-38-45-61
- RIDADR
- 2783 · 2783
- WGK Germany
- 3 · 3
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29349990 · 29349990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralAcute · Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Chronic 2
- Toxicity
- 50 · chicken,LD50,oral,110mg/kg (110mg/kg),PERIPHERAL NERVE AND SENSATION: STRUCTURAL CHANGE IN NERVE OR SHEATHBEHAVIORAL: ATAXIA,Bochu Kagaku. Scientific Pest Control. Vol. 40, Pg. 49, 1975.
Safety & regulation
GHS classification
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]；H311: Toxic in contact with skin [Danger Acute toxicity, dermal]；H370 **: Causes damage to organs [Danger Specific target organ toxicity, single exposure]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P262, P264, P270, P273, P280, P301+P316, P302+P352, P308+P316, P316, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)
Danger
Hazard information
DOT Hazard Classification
Salithion
Marine pollutant
Hazard Classes and Categories
Acute Tox. 3 (100%)；Acute Tox. 3 (97.5%)；STOT SE 1 (97.5%)；Aquatic Chronic 2 (100%)
Acute toxicity - category 3；Acute toxicity - category 3；Specific target organ toxicity (single exposure) - category 1；Hazardous to the aquatic environment (chronic) - category 2
Acute toxicity (Oral) - Category 3；Acute toxicity (Dermal) - Category 3
Acute Tox. 3 *；Acute Tox. 3 *；STOT SE 1；Aquatic Chronic 2
Safety data
- wgk
- 3
- ridadr
- 2783
- hs_code
- 29349990
- Toxicity
- chicken,LD50,oral,110mg/kg (110mg/kg),PERIPHERAL NERVE AND SENSATION: STRUCTURAL CHANGE IN NERVE OR SHEATHBEHAVIORAL: ATAXIA,Bochu Kagaku. Scientific Pest Control. Vol. 40, Pg. 49, 1975.
- risk_code
- 24/25-39/25-51/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- T,N
- safety_code
- 36/37-38-45-61
- 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-H312-H411
- Hazard Classifications
- Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Chronic 2
- Precautionary statements
- P264-P270-P273-P280-P301+P310-P302+P352+P312
Chemistry & industry
Applications
UsesDioxabenzofos may be used as an analytical reference standard for the determination of the analyte in food, animal tissues, Oolong tea and vegetables/fruits by various chromatography techniques.', 'Refer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Upstream & downstream products
Upstream raw materials
Suppliers29 total
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Additional notes
DefinitionChEBI: Salithion is an organic thiophosphate.
Related reactions
1 records
Compound notes
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