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| CAS No.: | 17606-31-4 |
|---|---|
| Name: | Bensultap |
| Article Data: | 3 |
| Molecular Structure: | |
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|
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| Formula: | C17H21 N O4 S4 |
| Molecular Weight: | 431.622 |
| Synonyms: | Benzenesulfonicacid, thio-, S,S'-[2-(dimethylamino)trimethylene] ester (8CI); Benzenesulfonothioicacid, S,S'-[2-(dimethylamino)-1,3-propanediyl] ester (9CI);1,3-Bis(phenylsulfonylthio)-2-(N,N-dimethylamino)propane; Bancol; Bensultap;Ruban; TI 1671; TI 78; Victenon; ZZ-Doricida |
| Density: | 1.353g/cm3 |
| Melting Point: | 82 - 83oC |
| Boiling Point: | 590.8°Cat760mmHg |
| Flash Point: | 311.1°C |
| Hazard Symbols: |
 
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| Risk Codes: | 22-50/53 |
| Safety: | A poison by ingestion and intraperitoneal routes. Moderately toxic by inhalation, intraperitoneal, subcutaneous, and skin contact routes. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx. |
| PSA: | 138.88000 |
| LogP: | 5.32240 |
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Chemistry
Molecule structure of Nereistoxin dibenzenesulfonate (CAS NO.17606-31-4) :
IUPAC Name: 1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine
Molecular Weight: 431.61294 g/mol
Molecular Formula: C17H21NO4S4
Density: 1.353 g/cm3
Melting Point: 83-84 °C
Boiling Point: 590.8 °C at 760 mmHg
Flash Point: 311.1 °C
Appreance: white crystalline solid
Water Solubility: 0.75 mg/L
Molar Volume: 318.9 cm3
Polarizability: 44.45×10-24 cm3
Surface Tension: 54.3 dyne/cm
Enthalpy of Vaporization: 88.14 kJ/mol
Vapour Pressure: 6.22E-14 mmHg at 25 °C
Henry's Law Constant: 1.20E-06 atm-m3/mole at 25 °C
Atmospheric OH Rate Constant: 3.40E-10 cm3/molecule-sec at 25 °C
XLogP3: 3.4
H-Bond Acceptor: 5
Rotatable Bond Count: 9
Exact Mass: 431.035341
MonoIsotopic Mass: 431.035341
Topological Polar Surface Area: 71.5
Heavy Atom Count: 26
Complexity: 558
Canonical SMILES: CN(C)C(CSS(=O)(=O)C1=CC=CC=C1)CSS(=O)(=O)C2=CC=CC=C2
InChI: InChI=1S/C17H21NO4S4/c1-18(2)15(13-23-25(19,20)16-9-5-3-6-10-16)14-24-26(21,22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKey: YFXPPSKYMBTNAV-UHFFFAOYSA-N
Storage temp.: 0-6 °C
Uses
Nereistoxin dibenzenesulfonate (CAS NO.17606-31-4) has a stomach poison, contact action, so that insect antifeedant paralytic poisoning death. Nereistoxin dibenzenesulfonate (CAS NO.17606-31-4) can control a variety of pests on the prevention of potatoes, corn and rice. It also have a strong killing effect on rice stem borers, potato beetles, diamondback moth and other Lepidoptera and Coleoptera insects.
Production
Nereistoxin dibenzenesulfonate (CAS NO.17606-31-4) is obtained from 2-N, N-dimethyl amino-1,3 - dichloropropane and Benzenethionosulfonic acid, sodium salt reflux reaction in ethanol .
Toxicity Data With Reference
| 1. | sce-hmn-lym 1 mg/L | MUREAV Mutation Research. 241 (1990),109. | ||
| 2. | orl-rat LD50:1105 mg/kg | FMCHA2 Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1991,C34. | ||
| 3. | ihl-rat LC50:>700 mg/m3 | NNGADV Nippon Noyaku Gakkaishi. 14 (1989),523. | ||
| 4. | ipr-rat LD50:438 mg/kg | NNGADV Nippon Noyaku Gakkaishi. 14 (1989),523. | ||
| 5. | scu-rat LD50:1160 mg/kg | NNGADV Nippon Noyaku Gakkaishi. 14 (1989),523. | ||
| 6. | orl-mus LD50:415 mg/kg ABCHA6 32,678,1968 | |||
| 7. | ipr-mus LD50:343 mg/kg | NNGADV Nippon Noyaku Gakkaishi. 14 (1989),523. | ||
| 8. | scu-mus LD50:1202 mg/kg | NNGADV Nippon Noyaku Gakkaishi. 14 (1989),523. | ||
| 9. | skn-rbt LD50:>2 g/kg | PEMNDP Pesticide Manual. 9 (1991),64. | ||
| 10. | orl-ckn LD50:103 mg/kg | PEMNDP Pesticide Manual. 9 (1991),64. | ||
| 11. | orl-qal LD50:60 mg/kg | PEMNDP Pesticide Manual. 9 (1991),64. |
Safety Profile
A poison by ingestion and intraperitoneal routes. Moderately toxic by inhalation, intraperitoneal, subcutaneous, and skin contact routes. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx.
Hazard Codes: 
Xn, 
N
Risk Statements: 22-50/53
R22: Harmful if swallowed
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 60-61
S60: This material and its container must be disposed of as hazardous waste.
S61: Avoid release to the environment. Refer to special instructions / safety data sheets
RIDADR: UN3077 9/PG 3
RTECS: DB8000000
Specification
Nereistoxin dibenzenesulfonate (CAS NO.17606-31-4) is also called Benzenesulfonicacid,thio-,s,s'-(2-(dimethylamino)trimethylene)ester ; Ruban ; s,s'-(2-(Dimethylamino)trimethylene)bis(benzenethiosulfonate) ; Thiobenzenesulfonicacids,s'-(2-(dimethylamino)trimethylene)ester ; TI-1671 ; TI-78 ; ZZ-doricida . Nereistoxin dibenzenesulfonate (CAS NO.17606-31-4) decomposition at about 150 °C. The melting point of hydrochloride is 163 °C and melting point of oxalate is 127-128 °C(decomposition). It is stable in acidic solution and its free base don't change if it stored for several months at room temperature.