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| CAS No.: | 41198-08-7 |
|---|---|
| Name: | Profenofos |
| Molecular Structure: | |
|
|
|
| Formula: | C11H15BrClO3PS |
| Molecular Weight: | 373.635 |
| Synonyms: | O-(4-Bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate;phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester;Phosphorothioic acid, O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl ester (9CI);Thiophosphate de O-(4-bromo-2-chlorophényle) et de O-éthyle et de S-propyle; |
| EINECS: | 255-255-2 |
| Density: | 1.482 g/cm3 |
| Melting Point: | <25 °C |
| Boiling Point: | 401.8 °C at 760 mmHg |
| Flash Point: | 196.8 °C |
| Solubility: | 28 mg l-1 (25 °C) |
| Appearance: | pale yellow liquid with garlic-like odor |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | 20/21/22-50/53 |
| Safety: | 36/37-60-61 |
| PSA: | 70.64000 |
| LogP: | 5.76910 |
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- 41198-08-7
Profenofos
A
- 1498-51-7
ethyl phosphodichloridite
| Conditions | Yield |
|---|---|
| With trichlorophosphate at 100℃; for 4h; Chlorination; | A n/a B 43.9% |
| Conditions | Yield |
|---|---|
| With 3-chloro-benzenecarboperoxoic acid |
- 41198-08-7
Profenofos
- 80705-86-8
Phosphoric acid 4-bromo-2-chloro-phenyl ester ethyl ester
| Conditions | Yield |
|---|---|
| With water; triethylamine; 3-chloro-benzenecarboperoxoic acid |
- 41198-08-7
Profenofos
- 937-14-4
3-chloro-benzenecarboperoxoic acid
A
- 5284-66-2
propanesulfonic acid
B
- 80705-86-8
Phosphoric acid 4-bromo-2-chloro-phenyl ester ethyl ester
C
- 80705-85-7
C11H15BrClO6PS
D
- 80705-87-9
C15H12BrCl2O5P
| Conditions | Yield |
|---|---|
| In acetone at 25℃; for 1h; Further byproducts given; |
- 41198-08-7
Profenofos
- 937-14-4
3-chloro-benzenecarboperoxoic acid
A
- 5284-66-2
propanesulfonic acid
B
- 80705-86-8
Phosphoric acid 4-bromo-2-chloro-phenyl ester ethyl ester
C
- 80705-85-7
C11H15BrClO6PS
D
- 80705-87-9
C15H12BrCl2O5P
E
- 80705-88-0
C16H16Br2Cl2O7P2
| Conditions | Yield |
|---|---|
| In acetone at 25℃; for 1h; Product distribution; |
- 41198-08-7
Profenofos
- 78-92-2, 15892-23-6
iso-butanol
A
- 5284-66-2
propanesulfonic acid
B
- 80705-86-8
Phosphoric acid 4-bromo-2-chloro-phenyl ester ethyl ester
| Conditions | Yield |
|---|---|
| With 3-chloro-benzenecarboperoxoic acid | A n/a B 45 % Spectr. C n/a D 55 % Spectr. |
- 41198-08-7
Profenofos
| Conditions | Yield |
|---|---|
| at 25℃; |
- 41198-08-7
Profenofos
- 3964-56-5
4-bromo-2-chlorophenol
| Conditions | Yield |
|---|---|
| With C25H32Cl3N2OV; water In chloroform-d1 for 3h; Reagent/catalyst; Time; UV-irradiation; |
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Specification
The Profenofos, with the CAS registry number 41198-08-7 and EINECS registry number 255-255-2, has the systematic name of O-(4-bromo-2-chlorophenyl) O-ethyl S-propyl phosphorothioate. It is a kind of pale yellow liquid with garlic-like odor, and it bleongs to the product categories of Pyridines and Carboxylic Acids. And the molecular formula of this chemical is C11H15BrClO3PS.
The physical properties of Profenofos are as following: (1)ACD/LogP: 4.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.6; (4)ACD/LogD (pH 7.4): 4.6; (5)ACD/BCF (pH 5.5): 1836.26; (6)ACD/BCF (pH 7.4): 1836.26; (7)ACD/KOC (pH 5.5): 7549.55; (8)ACD/KOC (pH 7.4): 7549.55; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 70.64 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 80.66 cm3; (15)Molar Volume: 252 cm3; (16)Polarizability: 31.97×10-24cm3; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.482 g/cm3; (19)Flash Point: 196.8 °C; (20)Enthalpy of Vaporization: 62.75 kJ/mol; (21)Boiling Point: 401.8 °C at 760 mmHg; (22)Vapour Pressure: 2.66E-06 mmHg at 25°C.
Preparation of Profenofos: It can be synthesized in a condensation reaction from O-ethyl-S-propyl chloride phosphate and 2-chloro-4-Bromophenol in the presence of acid-binding agent. And O-ethyl-S-propyl chloride phosphate can be prepared from (C2H5O)2PCl, C2H5OPCl2 and PCl3.
Uses of Profenofos: It is a kind of trinary anisomerous unsystemic broad spectrum pesticide which can control the insects and mites of cotton, vegetables and fruit trees. It is also used as anisomerous organophosphorus insecticides.
You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. It is also very toxic to aquatic organisms, amd may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves; This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(Cl)c(OP(=O)(OCC)SCCC)cc1
(2)InChI: InChI=1/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3
(3)InChIKey: QYMMJNLHFKGANY-UHFFFAOYAJ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| chicken | LD50 | oral | 1900ug/kg (1.9mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Toxicology and Applied Pharmacology. Vol. 73, Pg. 16, 1984. |
| mouse | LD50 | intraperitoneal | 116mg/kg (116mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 12, Pg. 781, 1987. | |
| mouse | LD50 | oral | 162mg/kg (162mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Toxicology and Applied Pharmacology. Vol. 73, Pg. 16, 1984. |
| mouse | LD50 | subcutaneous | 2gm/kg (2000mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 12, Pg. 781, 1987. | |
| rabbit | LD50 | oral | 700mg/kg (700mg/kg) | Ciba-Geigy Toxicology Data/Indexes. Vol. -, Pg. -, 1977. | |
| rabbit | LD50 | skin | 192mg/kg (192mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C87, 1991. | |
| rat | LC50 | inhalation | 3gm/m3/4H (3000mg/m3) | Pesticide Manual. Vol. 9, Pg. 7705, 1991. | |
| rat | LD50 | intraperitoneal | 520mg/kg (520mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 12, Pg. 781, 1987. | |
| rat | LD50 | oral | 358mg/kg (358mg/kg) | Pesticide Manual. Vol. 9, Pg. 705, 1991. | |
| rat | LD50 | skin | 1610mg/kg (1610mg/kg) | Ciba-Geigy Toxicology Data/Indexes. Vol. -, Pg. -, 1977. | |
| rat | LD50 | subcutaneous | 3200mg/kg (3200mg/kg) | Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 12, Pg. 781, 1987. | |
| women | LDLo | oral | 2240uL/kg (2.24mL/kg) | SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE GASTROINTESTINAL: CHANGE IN STRUCTURE OR FUNCTION OF ESOPHAGUS GASTROINTESTINAL: OTHER CHANGES | Journal of Toxicology, Clinical Toxicology. Vol. 36, Pg. 63, 1998. |