Grundinformationen
- Standard-SMILES
CCOP(=S)(S)OCC- InChIKey
IRDLUHRVLVEUHA-UHFFFAOYSA-N- Summenformel
- C4H11O2PS2
- Durchschnittliche Molmasse
- 186,2 g/mol
- Monoisotopische Masse
- 185,99380893
Namen und Bezeichner
- Bevorzugter Name
- O,O-Diethyl dithiophosphate
- IUPAC
- diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane
- Lokaler Name
- O,O-Diethylhydrogendithiophosphat
- Englischer Name
- Diethylphosphorodithioate
- Summenformel
- C4H11O2PS2
- Molmasse
- 186.23
Namen und Synonyme
298-06-6O,O-Diethyl dithiophosphateO,O-DIETHYL PHOSPHORODITHIOATEO,O-Diethyl thiolothionophosphatePhosphorodithioic acid, O,O-diethyl esterO,O-Diethyl-S-hydrogen phosphorodithioateKyselina O,O-diethyldithiofosforecnaPhosphordithioic acid, O,O-diethyl ester02C5XR639PNSC-171184RefChem:855033206-055-9
Weitere Namen anzeigen
O,O-Diethyl dithiophosphoric acidDiethyl phosphorodithioic acidEP-1Diethyldithiophosphoric acidDITHIOPHOSPHORIC ACID O,O-DIETHYL ESTERDEPTA
Diethyl dithiophosphatediethylphosphorodithioateO,O'-Diethyl dithiophosphateO,O-Diethyl hydrogen phosphorodithioateDiethyl phosphorodithioateO,O-DiethyldithiophosphateDi-O-ethyl dithiophosphateO,O'-Diethyl hydrogen dithiophosphate
Datenbank-Bezeichner
- CAS
298-06-6、52857-42-8- PubChem CID
- 9274
- DTXSID
DTXSID6027133- ChEMBL
CHEMBL1886492- ChEBI
CHEBI:189749- UNII
- 02C5XR639P
- EC Number
- 206-055-9
- Nikkaji
- J2.033H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 51,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 107
Experimentelle und physikochemische Eigenschaften
Vapor Pressure0.05 [mmHg]
Physical DescriptionClear almost colorless liquid; [MSDSonline]
Collision Cross Section134.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID1058688]；135.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6027133]
Physikochemische Eigenschaften
- Schmelzpunkt
- 0 °C · <0°C
- Siedepunkt
- 60 °C1 · 60 °C1 mm Hg(lit.)
- Dichte
- 1.11 g/mL · 1.11 g/mL at 25 °C(lit.)
- Dampfdruck
- 60 Pa · 60Pa at 57℃
- Brechungsindex
- 20 · n20/D 1.512(lit.)
- Flammpunkt
- 181 °F · 181 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 330 g/l · 330g/l
- pka
- -0.1 · -0.10±0.34(Predicted)
- Aggregatzustand
- Oil
- Farbe
- Pale Gray to Very Dark Brown
- PH
- 0.8 · 0.8 (100g/l, H2O, 20℃)
- Biologische Quelle
- rabbit
- Wasserlöslichkeit
- 330 g/L · 330g/L at 25℃
- BRN
- 507407 · 507407
- Stabilität
- Hygroscopic
- InChI
- 1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)
- InChIKey
- IRDLUHRVLVEUHA-UHFFFAOYSA-N
- SMILES
- CCOP(S)(=S)OCC
- CAS Datenbank
- 298 · 298-06-6(CAS DataBase Reference)
- NIST chemische Informationen
- Phosphorodithioic acid, o,o'-diethyl ester(298-06-6)
- EPA chemische Informationen
- O,O-Diethyl dithiophosphate (298-06-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (25.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H302+H332 (71.4%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]；H302 (73.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (26.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (99.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (71.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H330 (26.5%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H332 (72.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 147 reports by companies from 6 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
Regulatory Information
Chemical: Phosphorodithioic acid, O,O-diethyl ester
Status: Active Update: 12-11-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/11749
Phosphorodithioic acid, O,O-diethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mutagen, severe eye irritant, and mild skin irritant; Causes somnolence and dyspnea in lethal-dose inhalation studies of rats; [RTECS] Evolves acidic gas on contact with water which can evolve explosive hydrogen gas on contact with metal surfaces; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis and pulmonary edema; [Aldrich MSDS]
Hazard Classes and Categories
Acute Tox. 3 (25.9%)；Acute Tox. 4 (73.5%)；Acute Tox. 3 (26.5%)；Skin Corr. 1B (99.3%)；Eye Dam. 1 (71.4%)；Acute Tox. 2 (26.5%)；Acute Tox. 4 (72.8%)
Flammable liquids - Category 4；Acute toxicity (Oral) - Category 4；Acute toxicity (Inhalation: Dusts and mists) - Category 4；Serious eye damage/eye irritation - Category 2A；Specific target organ toxicity - Repeated exposure - Category 2 (testis)；Hazardous to the aquatic environment (Acute) - Category 2；Hazardous to the aquatic environment (Long-term) - Category 2
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
TSCA Test Submissions
The mutagenicity of O,O-diethyl phosphorodithioate was evaluated in Salmonella tester strains TA98, TA100, TA1535, TA1537 and TA1538 (Ames Test), both in the presence and absence of Aroclor-induced rat liver S9 metabolic activation. Based on preliminary toxicity determinations, O,O-diethyl phosphorodithioate, diluted in DMSO, was tested at concentrations up to 5000ug/plate using the plate incorporation technique. O,O-diethyl phosphorodithioate did cause a positive response in tester strains TA1535 and TA100 with and without metabolic activation.
Toxicity DataLC50 (rat) = 1,640 mg/m3/4h
EPA Provisional Peer-Reviewed Toxicity Values
Diethylphosphorodithioate
PDF Document
2012
Regulatorische Informationen
Regulatory Information
Chemical: Phosphorodithioic acid, O,O-diethyl ester
Status: Active Update: 12-11-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/11749
Phosphorodithioic acid, O,O-diethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 10-13-23
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29209090
- RTECS-Nr.
- TD7350000
- risk_code
- 23/24/25-34
- hazard_code
- T
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Giftige Stoffe Daten
- 298-06-6(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
UsesUsed in the synthesis of the pesticide Terbufos; [Ullmann]
General Manufacturing InformationPhosphorodithioic acid, O,O-diethyl ester: ACTIVE
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
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