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| CAS No.: | 40626-35-5 |
|---|---|
| Name: | (ethoxy-propylsulfanyl-phosphoryl)oxybenzene |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C11H17 O3 P S |
| Molecular Weight: | 260.294 |
| Synonyms: | Fostil;Heterofos; Heterophos; O-Ethyl O-phenyl S-propyl phosphorothioate; O-EthylO-phenyl S-propyl thiophosphate; Phostil |
| Density: | 1.162g/cm3 |
| Boiling Point: | 331.6°Cat760mmHg |
| Flash Point: | 154.4°C |
| Hazard Symbols: | A poison by ingestion. |
| Safety: | A poison by ingestion. When heated to decomposition it emits toxic vapors of SOx and POx. |
| PSA: | 70.64000 |
| LogP: | 4.35320 |
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Chemistry
Molecule structure of Heterophos (CAS NO.40626-35-5) :
IUPAC Name: [ethoxy(propylsulfanyl)phosphoryl]oxybenzene
Molecular Weight: 260.289641 g/mol
Molecular Formula: C11H17O3PS
Density: 1.162 g/cm3
Boiling Point: 331.6 °C at 760 mmHg
Flash Point: 154.4 °C
Index of Refraction: 1.519
Molar Refractivity: 68.07 cm3
Molar Volume: 223.9 cm3
Polarizability: 26.98×10-24 cm3
Surface Tension: 40.6 dyne/cm
Enthalpy of Vaporization: 55.15 kJ/mol
Vapour Pressure: 0.000297 mmHg at 25 °C
XLogP3: 3.4
H-Bond Acceptor: 3
Rotatable Bond Count: 7
Exact Mass: 260.063602
MonoIsotopic Mass: 260.063602
Topological Polar Surface Area: 35.5
Heavy Atom Count: 16
Complexity: 229
Canonical SMILES: CCCSP(=O)(OCC)OC1=CC=CC=C1
InChI: InChI=1S/C11H17O3PS/c1-3-10-16-15(12,13-4-2)14-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKey: XRAFOYUFLGWMQB-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:295 mg/kg | KSKZAN Khimiya v Sel’skom Khozyaistve. Chemistry in Agriculture. 16 (2)(1978),59. | ||
| 2. | orl-mus LD50:55 mg/kg | PCBPBS Pesticide Biochemistry and Physiology. 6 (1976),85. | ||
| 3. | orl-ckn LDLo:6 mg/kg | VETNAL Veterinariya. 60 (1)(1984),67. |
Safety Profile
A poison by ingestion. When heated to decomposition it emits toxic vapors of SOx and POx.
Specification
Heterophos (CAS NO.40626-35-5) is also called BRN 2122115 ; Heterofos ; O-Ethyl O-phenyl S-propyl phosphorothioate ; Phostil ; Phosphorothioic acid, O-ethyl O-phenyl S-propyl ester . Heterophos (CAS NO.40626-35-5) is high toxic. It is flammable. It will produce toxic phosphorus oxide and sulfur oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Heterophos (CAS NO.40626-35-5) separate from raw materials of food.