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Sulprofos

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Sulprofos

EINECS 252-545-0
CAS No. 35400-43-2 Density 1.22 g/cm3
PSA 110.96000 LogP 5.84210
Solubility 0.31 mg 1l-1(20 °C) Melting Point -15oC /technical grade/
Formula C12H19O2PS3 Boiling Point 403.4 °C at 760 mmHg
Molecular Weight 322.453 Flash Point 197.8 °C
Transport Information N/A Appearance UN 3108
Safety 36/37-45-60-61 Risk Codes 21-23/25-50/53
Molecular Structure Molecular Structure of 35400-43-2 (SULPROFOS) Hazard Symbols ToxicT; DangerousN
Synonyms

BAY-NTN9306;Bayer NTN 9306;Bolstar;Helothion;Mercaprofos;Mercaprophos;Merpafos;NTN 9306;O-Ethyl O-(4-methylthiophenyl) S-propyl dithiophosphate;Sulprophos;

Article Data 4

Sulprofos Standards and Recommendations

OSHA PEL: TWA 1 mg/m3
ACGIH TLV: TWA 1 mg/m3; Not Classifiable as a Human Carcinogen

Sulprofos Specification

The CAS registry number of Sulprofos is 35400-43-2. With EINECS registry number is 252-545-0, its IUPAC name is ethoxy-(4-methylsulfanylphenoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane. In addition, the molecular formula is C12H19O2PS3 and the molecular weight is 322.45. What's more, it is a tan-colored liquid with a sulfide-like odor.

Physical properties about this chemical are: (1)ACD/LogP: 4.64; (2)ACD/LogD (pH 5.5): 4.64; (3)ACD/LogD (pH 7.4): 4.64; (4)ACD/BCF (pH 5.5): 1969.6; (5)ACD/BCF (pH 7.4): 1969.6; (6)ACD/KOC (pH 5.5): 7938.03; (7)ACD/KOC (pH 7.4): 7938.03; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 110.96 Å2; (11)Index of Refraction: 1.582; (12)Molar Refractivity: 87.77 cm3; (13)Molar Volume: 262.7 cm3; (14)Polarizability: 34.79 ×10-24cm3; (15)Surface Tension: 50.5 dyne/cm; (16)Density: 1.22 g/cm3; (17)Flash Point: 197.8 °C; (18)Enthalpy of Vaporization: 62.92 kJ/mol; (19)Boiling Point: 403.4 °C at 760 mmHg; (20)Vapour Pressure: 2.38E-06 mmHg at 25°C.

Preparation of Sulprofos: At first, add organic solvent and phosphorus pentasulfide into reactor. Then add a fixed quantity of catalyst and 4-methylthiophenol sodiumate. Next, add a fixed quantity of anhydrous alcohol and bromine propane mixture. Heat the mixture to 70 °C. After the reaction, via a series of extraction, washing by alkali and water, drying by anhydrous sodium sulfate and vacuum distillation you can get the desired product.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful in contact with skin and toxic by inhalation and if swallowed. In addition, it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing and gloves. And in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). What's more, this material and/or its container must be disposed of as hazardous waste. You should avoid release to the environment and you can refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: S=P(Oc1ccc(SC)cc1)(OCC)SCCC
(2)Std. InChI: InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3
(3)Std. InChIKey: JXHJNEJVUNHLKO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 65mg/kg (65mg/kg)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 1473, 1991.
mouse LD50 intraperitoneal 280mg/kg (280mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 12, Pg. 775, 1987.
mouse LD50 oral 490mg/kg (490mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 12, Pg. 775, 1987.
mouse LD50 skin 5gm/kg (5000mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 12, Pg. 775, 1987.
mouse LD50 subcutaneous > 1gm/kg (1000mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 12, Pg. 775, 1987.
rabbit LD50 skin 820mg/kg (820mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C47, 1991.
rat LC50 inhalation > 661mg/m3/4H (661mg/m3)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 12, Pg. 775, 1987.
rat LD50 intraperitoneal 160mg/kg (160mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 12, Pg. 775, 1987.
rat LD50 oral 65mg/kg (65mg/kg)   "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 1, Pg. 205, 1977.
rat LD50 skin 2500mg/kg (2500mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 12, Pg. 775, 1987.
rat LD50 subcutaneous 490mg/kg (490mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 12, Pg. 775, 1987.

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