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Bensultap

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Name

Bensultap

EINECS N/A
CAS No. 17606-31-4 Density 1.353g/cm3
PSA 138.88000 LogP 5.32240
Solubility N/A Melting Point 82 - 83oC
Formula C17H21 N O4 S4 Boiling Point 590.8°Cat760mmHg
Molecular Weight 431.622 Flash Point 311.1°C
Transport Information N/A Appearance N/A
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. Risk Codes 22-50/53
Molecular Structure Molecular Structure of 17606-31-4 (Bensultap) Hazard Symbols
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

Article Data 3

Bensultap Chemical Properties

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

Bensultap 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.

Bensultap 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 .

Bensultap 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.

Bensultap 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: HarmfulXn, DangerousN
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

Bensultap 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.

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