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59010-86-5

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Basic Information
CAS No.: 59010-86-5
Name: O-{4-[(4-chlorophenyl)sulfanyl]phenyl} O-ethyl S-propyl phosphorothioate
Molecular Structure:
Molecular Structure of 59010-86-5 (O-{4-[(4-chlorophenyl)sulfanyl]phenyl} O-ethyl S-propyl phosphorothioate)
Formula: C17H20ClO3PS2
Molecular Weight: 402.91
Density: 1.3g/cm3
Boiling Point: 513°C at 760 mmHg
Flash Point: 264.1°C
Hazard Symbols: Moderately toxic by ingestion and skin contact.
Safety: Moderately toxic by ingestion and skin contact. When heated to decomposition it emits toxic vapors of SOx, POx, and Cl−.
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Chemistry

Empirical Formula of RH 0994 (CAS NO.59010-86-5): C17H20ClO3PS2
Molecular Weight: 402.8957 
Index of Refraction: 1.601
Density: 1.3 g/cm3
Flash Point: 264.1 °C
Enthalpy of Vaporization: 75.47 kJ/mol
Boiling Point: 513 °C at 760 mmHg
Vapour Pressure: 3.95E-10 mmHg at 25 °C
Structure of RH 0994 (CAS NO.59010-86-5):
                       
IUPAC Name: 1-(4-Chlorophenyl)sulfanyl-4-[ethoxy(propylsulfanyl)phosphoryl] oxybenzene
Canonical SMILES: CCCSP(=O)(OCC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)Cl
InChI: InChI=1S/C17H20ClO3PS2/c1-3-13-23-22(19,20-4-2)21-15-7-11-17(12-8-15)24-16-9-5-14(18)6-10-16/h5-12H,3-4,13H2,1-2H3
InChIKey: IQEADSTVCRSHDL-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:690 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0535846 .
2.    

skn-rbt LDLo:1250 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0544799 .

Safety Profile

Moderately toxic by ingestion and skin contact. When heated to decomposition RH 0994 (CAS NO.59010-86-5) emits toxic vapors of SOx, POx, and Cl−.

Specification

 RH 0994 , its cas register number is 59010-86-5. It also can be called O-(4-((4-Chlorophenyl)thio)phenyl) O-ethyl S-propyl phosphorothioate ; and Phosphorothioic acid, O-(4-((4-chlorophenyl)thio)phenyl) O-ethyl S-propyl ester .