-
Name
(3,5-dimethyl-4-methylsulfanyl-phenoxy)-diethoxy-sulfanylidene-phospho rane
- EINECS
- CAS No. 52-60-8
- Density 1.18g/cm3
- Solubility
- Melting Point
- Formula C13H21 O3 P S2
- Boiling Point 369.7°Cat760mmHg
- Molecular Weight 320.414
- Flash Point 177.4°C
- Transport Information
- Appearance
- Safety Poison by ingestion. Moderately toxic by intraperitoneal route. When heated to decomposition it emits very toxic fumes of POx and SOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Phosphorothioicacid, O,O-diethyl O-[4-(methylthio)-3,5-xylyl] ester (7CI,8CI); 3,5-Xylenol,4-(methylthio)-, O-ester with O,O-diethyl phosphorothioate; BAY 37341; BAY9017; Bayer 37341; Bayer 9017; O,O-Diethyl O-[4-(methylthio)-3,5-xylyl]phosphorothioate
- PSA 94.89000
- LogP 5.35220
O,O-Diethyl O-(4-(methylthio)-3,5-xylyl)phosphorothioate Chemical Properties
Empirical Formula of O,O-Diethyl O-(4-(methylthio)-3,5-xylyl)phosphorothioate (CAS NO.52-60-8): C13H21O3PS2
Molecular Weight: 320.4078
Index of Refraction: 1.55
Density: 1.18 g/cm3
Flash Point: 177.4 °C
Enthalpy of Vaporization: 59.23 kJ/mol
Boiling Point: 369.7 °C at 760 mmHg
Vapour Pressure: 2.47E-05 mmHg at 25 °C
Structure of O,O-Diethyl O-(4-(methylthio)-3,5-xylyl)phosphorothioate (CAS NO.52-60-8):
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IUPAC Name: (3,5-Dimethyl-4-methylsulfanylphenoxy)-diethoxy-sulfanylidene-λ5-phosphane
Canonical SMILES: CCOP(=S)(OCC)OC1=CC(=C(C(=C1)C)SC)C
InChI: InChI=1S/C13H21O3PS2/c1-6-14-17(18,15-7-2)16-12-8-10(3)13(19-5)11(4)9-12/h8-9H,6-7H2,1-5H3
InChIKey: RYYJMLJORHNGST-UHFFFAOYSA-N
O,O-Diethyl O-(4-(methylthio)-3,5-xylyl)phosphorothioate Toxicity Data With Reference
| 1. | orl-rat LD50:375 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 21 (1972),315. | ||
| 2. | ipr-mus LDLo:500 mg/kg | CBCCT* “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 5 (1953),337. | ||
| 3. | orl-ckn LD50:18 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 11 (1967),49. | ||
| 4. | orl-bwd LD50:4200 µg/kg | TXAPA9 Toxicology and Applied Pharmacology. 21 (1972),315. |
O,O-Diethyl O-(4-(methylthio)-3,5-xylyl)phosphorothioate Safety Profile
Poison by ingestion. Moderately toxic by intraperitoneal route. When heated to decomposition O,O-Diethyl O-(4-(methylthio)-3,5-xylyl)phosphorothioate (CAS NO.52-60-8) emits very toxic fumes of POx and SOx.
O,O-Diethyl O-(4-(methylthio)-3,5-xylyl)phosphorothioate Specification
O,O-Diethyl O-(4-(methylthio)-3,5-xylyl)phosphorothioate , its cas register number is 52-60-8. It also can be called 3,5-Xylenol, 4-(methylthio)-, O-ester with O,O-diethyl phosphorothioate ; O-(3,5-Dimethyl-4-(methylthio)phenyl) O,O-diethyl phosphorothioate ; and Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-diethyl ester .
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