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Tetra-n-propyl dithiopyrophosphate

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Name

Tetra-n-propyl dithiopyrophosphate

EINECS N/A
CAS No. 3244-90-4 Density 1.173g/cm3
PSA 129.95000 LogP 6.45960
Solubility N/A Melting Point -44.9°C
Formula C12H28 O5 P2 S2 Boiling Point 381.6°Cat760mmHg
Molecular Weight 378.431 Flash Point 184.6°C
Transport Information N/A Appearance N/A
Safety Poison by intramuscular, intravenous, and intraperitoneal routes. Moderately toxic by ingestion and skin contact. When heated to decomposition it emits very toxic fumes of POx and SOx. Used as a pesticide to control chinch bugs and sod webworm in lawns and on turfs. Risk Codes 21/22-50/53
Molecular Structure Molecular Structure of 3244-90-4 (ASPON (TM)) Hazard Symbols Highly toxic.
Synonyms

Propylthiopyrophosphate ([(PrO)2P(S)]2O) (6CI,7CI); Thiodiphosphoric acid ([(HO)2P(S)]2O),tetrapropyl ester (9CI); Thiopyrophosphoric acid ([(HO)2PS]2O), tetrapropylester (8CI); A 42; ASP 51; Aspon; E 8573; NPD; NSC 2550; O,O,O,O-Tetrapropyldithiopyrophosphate; Tetra-n-propyl dithionopyrophosphate; Tetra-n-propyldithiopyrophosphate

 

Tetra-n-propyl dithiopyrophosphate Chemical Properties

Molecule structure of Tetra-n-propyl dithiopyrophosphate (CAS NO.3244-90-4) :

IUPAC Name: dipropoxyphosphinothioyloxy-dipropoxy-sulfanylidene-λ5-phosphane 
Molecular Weight: 378.425242 g/mol
Molecular Formula: C12H28O5P2S2 
Density: 1.173 g/cm3 
Boiling Point: 381.6 °C at 760 mmHg 
Flash Point: 184.6 °C
Index of Refraction: 1.498
Molar Refractivity: 94.63 cm3
Molar Volume: 322.4 cm3
Polarizability: 37.51×10-24 cm3
Surface Tension: 44.9 dyne/cm 
Enthalpy of Vaporization: 60.53 kJ/mol
Vapour Pressure: 1.1E-05 mmHg at 25 °C
XLogP3-AA: 6
H-Bond Acceptor: 5
Rotatable Bond Count: 14
Exact Mass: 378.085338
MonoIsotopic Mass: 378.085338
Topological Polar Surface Area: 46.2
Heavy Atom Count: 21
Complexity: 299
Canonical SMILES: CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC
InChI: InChI=1S/C12H28O5P2S2/c1-5-9-13-18(20,14-10-6-2)17-19(21,15-11-7-3)16-12-8-4/h5-12H2,1-4H3
InChIKey: IIDFEIDMIKSJSV-UHFFFAOYSA-N
EINECS: 221-817-0

Tetra-n-propyl dithiopyrophosphate Toxicity Data With Reference

1.    

orl-rat LD50:450 mg/kg

    WRPCA2    World Review of Pest Control. 9 (1970),119.
2.    

skn-rat LD50:1800 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 2 (1960),88.
3.    

ipr-rat LD50:1100 mg/kg

    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 8 (1953),350.
4.    

orl-ckn LD50:436 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 6 (1964),147.
5.    

ipr-mus LD50:8 mg/kg

    CJCHAG    Canadian Journal of Chemistry. 34 (1956),1819.
6.    

ivn-mus LD50:3250 µg/kg

    CJCHAG    Canadian Journal of Chemistry. 34 (1956),1819.
7.    

ims-mus LD50:4410 µg/kg

    CJCHAG    Canadian Journal of Chemistry. 34 (1956),1819.
8.    

skn-rbt LD50:3830 mg/kg

    31ZOAD    Pesticide Manual. 1 (1968),42.

Tetra-n-propyl dithiopyrophosphate Consensus Reports

EPA Genetic Toxicology Program.

Tetra-n-propyl dithiopyrophosphate Safety Profile

Poison by intramuscular, intravenous, and intraperitoneal routes. Moderately toxic by ingestion and skin contact. When heated to decomposition it emits very toxic fumes of POx and SOx. Used as a pesticide to control chinch bugs and sod webworm in lawns and on turfs.
Hazard Codes: HarmfulXn, N
Risk Statements: 21/22-50/53 
R21/22:Harmful in contact with skin and if swallowed. 
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 36/37-60-61 
S36/37:Wear suitable protective clothing and gloves. 
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: 3018
RTECS: XN4550000
HazardClass: 6.1(b)
PackingGroup: III

Tetra-n-propyl dithiopyrophosphate Specification

 Tetra-n-propyl dithiopyrophosphate (CAS NO.3244-90-4) is also called 4-01-00-01432 (Beilstein Handbook Reference) ;
Aspon ; BRN 1715467 ; Bis(O,O-di(N-propyl))phosphorothionic anhydride ; Bis-O,O-di-n-propylphosphorothionic anhydride ; Caswell No. 845A ; EPA Pesticide Chemical Code 079101 ; HSDB 1776 ; O,O,O,O-Tetra-n-propyl dithiopyrophosphate ; O,O,O,O-Tetrapropyl dithiopyrophosphate ; Propyl thiopyrophosphate ; Propyl thiopyrophosphate (((PrO)2P(S))2O) ; Tetrapropyl dithiopyrophosphate ; Tetrapropyl thiodiphosphate ; Tetrapropyl thiopyrophosphate (8CI) ; Tetrapropyldithiodifosfat [Czech] ; Thiodiphosphoric acid (((HO)2P(S))2O), tetrapropyl ester ; Thiodiphosphoric acid tetrapropyl ester (9CI) ; Thiopyrophosphoric acid (((HO)2PS)2O), tetrapropyl ester ; Thiopyrophosphoric acid, tetrapropyl ester . Tetra-n-propyl dithiopyrophosphate (CAS NO.3244-90-4) is high toxic. It will produce toxic phosphorus oxides and sulfur oxide gases when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Tetra-n-propyl dithiopyrophosphate (CAS NO.3244-90-4) separate from raw materials of food.

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