Basic information
- CAS
10548-10-4- Standard SMILES
CCOP(=S)(OCC)SCS(=O)C(C)(C)C- InChIKey
KKOYBOFPUBHPFO-UHFFFAOYSA-N- Molecular formula
- C9H21O3PS3
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.03904505
Names & identifiers
- Preferred name
- Terbufos sulfoxide
- IUPAC
- tert-butylsulfinylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
- English name
- Terbufos-sulfoxide
- Molecular formula
- C9H21O3PS3
- Molecular weight
- 304.43
Names & synonyms
TERBUFOS SULFOXIDE10548-10-4X3P0CD07N8DTXSID6042444RefChem:187944DTXCID4022444Terbufos-sulfoxidetert-butylsulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphaneUNII-X3P0CD07N8TERBUFOS SULPHOXIDEC9H21O3PS3SCHEMBL1258449
Show more names
TERBUFOSSULPHOXIDERevefenacin Impurity 31C17270500 Terbufos-sulfoxideTerbufos-sulfoxide in Methanoltert-Butyl phosphine sulfoxideTerbufos-sulfoxide in AcetonitrileTERBUFOS-SULFOXIDE PESTANAL, 100 MGTerbufos-sulfoxide Solution, 1000ppmTerbufos-sulfoxide 100 μg/ml Acetonitrile
KKOYBOFPUBHPFO-UHFFFAOYSA-NMSK20160MFCD01863140NS00004706Q27293519Terbufos-sulfoxide, PESTANAL(R), analytical standardtert-butylsulfinylmethylsulfanyl-diethoxy-thioxo-lambda5-phosphaneO,O-Diethyl S-[(2-methylpropane-2-sulfinyl)methyl] phosphorodithioate
Database identifiers
- CAS
10548-10-4- PubChem CID
- 25355
- DTXSID
DTXSID6042444- UNII
- X3P0CD07N8
- EC Number
- 635-167-4
- Nikkaji
- J303.812B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
Pesticides
Pesticide (Terbufos sulfoxide) -> USDA PDB
Pesticide degradation product
LogP2.21
Physicochemical properties
- Boiling point
- 397.3 · 397.3±44.0 °C(Predicted)
- Density
- 1.2 · 1.2000 (rough estimate)
- refractive index
- 1.521 · 1.5210 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- Water Solubility
- 1.1 g/L · >1.1g/L(temperature not stated)
- BRN
- 2112370 · 2112370
- Major Application
- agricultureenvironmental
- InChI
- 1S/C9H21O3PS3/c1-6-11-13(14,12-7-2)15-8-16(10)9(3,4)5/h6-8H2,1-5H3
- InChIKey
- KKOYBOFPUBHPFO-UHFFFAOYSA-N
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 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
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 39 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. 1 (100%)
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
Terbufos sulfoxide
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
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN2810 6.1/PG 1
- risk_code
- 26/27/28
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 36/37/39-45
- Storage Class
Chemistry & industry
Applications
UsesTerbufos-sulfoxide was identified in vegetables and fruit by gas chromotography.
Upstream & downstream products
Upstream raw materials
Suppliers20 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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