Grundinformationen
- Standard-SMILES
CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C- InChIKey
DWZSTEUTHNUVQD-UHFFFAOYSA-N- Summenformel
- C9H21O4PS3
- Durchschnittliche Molmasse
- 320,4 g/mol
- Monoisotopische Masse
- 320,03395967
Namen und Bezeichner
- Bevorzugter Name
- Terbufos sulfone
- IUPAC
- tert-butylsulfonylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
- Englischer Name
- TERBUFOS-SULFONE
- Summenformel
- C9H21O4PS3
- Molmasse
- 320.43
Namen und Synonyme
TERBUFOS SULFONE56070-16-7DTXSID1042443U2V9FRY9P2DTXCID9022443Phosphorodithioic acid, S-(((1,1-dimethyethyl)sulfonyl)methyl) O,O-diethyl esterRefChem:891388Terbufos-sulfonetert-butylsulfonylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphaneUNII-U2V9FRY9P2TerbufosSulfoneTERBUFOS SULPHONE
Weitere Namen anzeigen
TERBUFOSSULPHONE*Sudan Impurity 31TERBUFOS-SULFONE PESTANALC17270400 Terbufos-sulfoneterbufos sulfone in AcetoneTerbufos sulfone in AcetonitrileTerbufos sulfone Solution, 100ppmTerbufos sulfone Solution, 1000ppmTerbos-SulfoneSolution,100mg/L,1ml
SCHEMBL5933954CHEMBL3560248MSK20089Tox21_304046NCGC00357253-01Terbufos-sulfone 1000 |Ig/mL in AcetoneCAS-56070-16-7NS00001573
Datenbank-Bezeichner
- CAS
56070-16-7- PubChem CID
- 41718
- DTXSID
DTXSID1042443- ChEMBL
CHEMBL3560248- UNII
- U2V9FRY9P2
- EC Number
- 634-681-6
- Nikkaji
- J303.813K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 118 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 357
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
2002
2044.2
Collision Cross Section
171.3 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1042443]
172.88 Ų [M+H]+ [CCS Type: TW]
Physikochemische Eigenschaften
- Siedepunkt
- 411.5 · 411.5±47.0 °C(Predicted)
- Dichte
- 1.2 · 1.2000 (rough estimate)
- Brechungsindex
- 1.521 · 1.5210 (estimate)
- storage temp.
- 2 · 2-8°C
- Wasserlöslichkeit
- 407.8 mg/L · 407.8mg/L(18.5 ºC)
- BRN
- 2279368 · 2279368
- InChI
- 1S/C9H21O4PS3/c1-6-12-14(15,13-7-2)16-8-17(10,11)9(3,4)5/h6-8H2,1-5H3
- InChIKey
- DWZSTEUTHNUVQD-UHFFFAOYSA-N
- SMILES
- CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C
- EPA chemische Informationen
- Terbufos sulfone (56070-16-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]；H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal]；H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 2 (100%)；Acute Tox. 2 (100%)；Acute Tox. 1 (100%)
Toxikologische Informationen
USGS Health-Based Screening Levels for Evaluating Water-Quality
Terbufos sulfone
Pesticide degradation product
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2810 6.1/PG 1
- risk_code
- 26/27/28
- hazard_code
- T+
- safety_code
- 36/37/39-45
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 Oral
Chemie und Industrie
Anwendungen
VerwendenTerbufos Sulfone is used in the inhibition of nicosulfuron metabolite by terbufos metabolites in maize.
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