Basic information
- Standard SMILES
CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C- InChIKey
DWZSTEUTHNUVQD-UHFFFAOYSA-N- Molecular formula
- C9H21O4PS3
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.03395967
Names & identifiers
- Preferred name
- Terbufos sulfone
- IUPAC
- tert-butylsulfonylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
- English name
- TERBUFOS-SULFONE
- Molecular formula
- C9H21O4PS3
- Molecular weight
- 320.43
Names & synonyms
TERBUFOS SULFONE56070-16-7DTXSID1042443U2V9FRY9P2DTXCID9022443Phosphorodithioic acid, S-(((1,1-dimethyethyl)sulfonyl)methyl) O,O-diethyl esterRefChem:891388Terbufos-sulfonetert-butylsulfonylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphaneUNII-U2V9FRY9P2TerbufosSulfoneTERBUFOS SULPHONE
Show more names
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
Database identifiers
- CAS
56070-16-7- PubChem CID
- 41718
- DTXSID
DTXSID1042443- ChEMBL
CHEMBL3560248- UNII
- U2V9FRY9P2
- EC Number
- 634-681-6
- Nikkaji
- J303.813K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 357
Experimental & physicochemical properties
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]
Physicochemical properties
- Boiling point
- 411.5 · 411.5±47.0 °C(Predicted)
- Density
- 1.2 · 1.2000 (rough estimate)
- refractive index
- 1.521 · 1.5210 (estimate)
- storage temp.
- 2 · 2-8°C
- Water Solubility
- 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
- FDA UNII
- 2 V9FRY9P2 · U2V9FRY9P2
- EPA Substance Registry System
- Terbufos sulfone (56070-16-7)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300+H310+H330
- Precautionary statements
- 262 · P262-P280-P301+P310+P330-P302+P352+P310-P304+P340+P310
- Hazard Codes
- T+
- Risk Statements
- 26 · 26/27/28
- Safety Statements
- 36 · 36/37/39-45
- RIDADR
- 2810 · UN 2810 6.1/PG 1
- WGK Germany
- 3 · 3
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 1 InhalationAcute · Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 Oral
Safety & regulation
GHS classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)；Acute Tox. 2 (100%)；Acute Tox. 1 (100%)
Toxicology
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
Safety data
- wgk
- 3
- ridadr
- UN 2810 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
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H300+H310+H330
- Hazard Classifications
- Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 Oral
- Precautionary statements
- P262-P280-P301+P310+P330-P302+P352+P310-P304+P340+P310
Chemistry & industry
Applications
UsesTerbufos Sulfone is used in the inhibition of nicosulfuron metabolite by terbufos metabolites in maize.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers17 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]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
上海毕楷科技有限公司18516304666
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]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
北京坛墨质检科技有限公司010-52889049 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
南京枫景晴生物科技有限公司15062262630 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
1 records
Linked notes
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