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Name |
Iprobenfos |
EINECS | 247-449-0 |
CAS No. | 26087-47-8 | Density | 1.124 g/cm3 |
PSA | 70.64000 | LogP | 4.87790 |
Solubility | 430 mg l-1(20 °C) | Melting Point |
22.5-23.8oC |
Formula | C13H21O3PS | Boiling Point | 354.4 °C at 760 mmHg |
Molecular Weight | 288.348 | Flash Point | 168.1 °C |
Transport Information | UN 3082 | Appearance | N/A |
Safety | 61-45-36/37 | Risk Codes | 22-51/53-39/23/24/25-23/24/25-11 |
Molecular Structure | Hazard Symbols | Xn, N, T, F | |
Synonyms |
Phosphorothioicacid, S-benzyl O,O-diisopropyl ester (8CI);IBP;Isokitazine;Kitazin17;Kitazin L;Kitazin P;O,O-Diisopropyl S-benzylthiophosphate;Ricid II;Ricid P;S-Benzyl O,O-diisopropyl phosphorothioate;S-Benzyl O,O-diisopropylthiophosphate; |
Article Data | 18 |
The O,O-Bis(1-methylethyl)-s-(phenyl-methyl)phosphorothioate is an organic compound with the formula C13H21O3PS. The IUPAC name of this chemical is di(propan-2-yloxy)phosphorylsulfanylmethylbenzene. With the CAS registry number 26087-47-8, it is also named as phosphorothioic acid, O,O-bis(1-methylethyl) S-(phenylmethyl) ester. The product's categories are Fungicide; Alpha sort; Alphabetic; Fungicides; H-MAnalytical Standards; IPesticides; Organophosphorus; Pesticides & Metabolites; Analytical Standards. Besides, it is the absorption of fungicide which has a good bactericidal effect within the suction. It can prevent the mycelial growth and spore formation.
Physical properties about O,O-Bis(1-methylethyl)-s-(phenyl-methyl)phosphorothioate are: (1)ACD/LogP: 3.21; (2)ACD/LogD (pH 5.5): 3.21; (3)ACD/LogD (pH 7.4): 3.21; (4)ACD/BCF (pH 5.5): 162.03; (5)ACD/BCF (pH 7.4): 162.03; (6)ACD/KOC (pH 5.5): 1328.13; (7)ACD/KOC (pH 7.4): 1328.13; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 70.64 Å2; (11)Index of Refraction: 1.514; (12)Molar Refractivity: 77.24 cm3; (13)Molar Volume: 256.3 cm3; (14)Polarizability: 30.62×10-24cm3; (15)Surface Tension: 38.7 dyne/cm; (16)Density: 1.124 g/cm3; (17)Flash Point: 168.1 °C; (18)Enthalpy of Vaporization: 57.58 kJ/mol; (19)Boiling Point: 354.4 °C at 760 mmHg; (20)Vapour Pressure: 6.87E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by C20H28O5P2S. This reaction will need reagent sulfur. The reaction time is 30 min with reaction temperature of 70 - 80 °C. The yield is about 90%.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable and toxic by inhalation, in contact with skin and if swallowed. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Besides, this chemical is danger of very serious irreversible effects and toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, wear suitable protective clothing and gloves and avoid release to the environment. Refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(SCc1ccccc1)(OC(C)C)OC(C)C
(2)InChI: InChI=1/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
(3)InChIKey: FCOAHACKGGIURQ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
(5)Std. InChIKey: FCOAHACKGGIURQ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
chicken | LD50 | oral | 508mg/kg (508mg/kg) | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 29, Pg. 51, 1982. | |
guinea pig | LD50 | oral | 420mg/kg (420mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: COMA | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(11), Pg. 75, 1985. |
monkey | LD | oral | > 200mg/kg (200mg/kg) | Journal of Toxicological Sciences. Vol. 2, Pg. 346, 1977. | |
mouse | LD50 | intraperitoneal | 335mg/kg (335mg/kg) | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 29, Pg. 51, 1982. | |
mouse | LD50 | oral | 435mg/kg (435mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: COMA | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(11), Pg. 75, 1985. |
mouse | LD50 | skin | 4gm/kg (4000mg/kg) | Pesticide Manual. Vol. 9, Pg. 500, 1991. | |
mouse | LD50 | subcutaneous | 1590mg/kg (1590mg/kg) | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 29, Pg. 51, 1982. | |
rat | LC50 | inhalation | 2836mg/m3 (2836mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(9), Pg. 77, 1986. |
rat | LD50 | intraperitoneal | 220mg/kg (220mg/kg) | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 29, Pg. 51, 1982. | |
rat | LD50 | oral | 550mg/kg (550mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: COMA | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(11), Pg. 75, 1985. |
rat | LD50 | skin | 3708mg/kg (3708mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(9), Pg. 77, 1986. | |
rat | LD50 | subcutaneous | 525mg/kg (525mg/kg) | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 29, Pg. 51, 1982. |