CAS No.35400-43-2,SULPROFOS Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	35400-43-2
Name:	SULPROFOS
Article Data:	4

Formula:	C₁₂H₁₉O₂PS₃
Molecular Weight:	322.453
Synonyms:	BAY-NTN9306;Bayer NTN 9306;Bolstar;Helothion;Mercaprofos;Mercaprophos;Merpafos;NTN 9306;O-Ethyl O-(4-methylthiophenyl) S-propyl dithiophosphate;Sulprophos;
EINECS:	252-545-0
Density:	1.22 g/cm³
Melting Point:	-15oC /technical grade/
Boiling Point:	403.4 °C at 760 mmHg
Flash Point:	197.8 °C
Solubility:	0.31 mg 1l-1(20 °C)
Appearance:	UN 3108
Hazard Symbols:	T; N
Risk Codes:	21-23/25-50/53
Safety:	36/37-45-60-61
PSA:	110.96000
LogP:	5.84210

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Standards and Recommendations

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

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)	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.