Empirical Formula of Kaya-ace (CAS NO.3078-97-5): C12H20NO5PS2
Molecular Weight: 353.3947
Index of Refraction: 1.543
Density: 1.293 g/cm3
Flash Point: 208.3 °C
Enthalpy of Vaporization: 67.48 kJ/mol
Boiling Point: 420.9 °C at 760 mmHg
Vapour Pressure: 2.72E-07 mmHg at 25 °C
Structure of Kaya-ace (CAS NO.3078-97-5):
IUPAC Name: 4-Diethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide
Canonical SMILES: CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)(=O)N(C)C
InChI: InChI=1S/C12H20NO5PS2/c1-5-16-19(20,17-6-2)18-11-7-9-12(10-8-11)21(14,15)13(3)4/h7-10H,5-6H2,1-4H3
InChIKey: RQRGLPSXUHGMES-UHFFFAOYSA-N
1. | orl-mus LD50:23,100 µg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 1 (1967),78. |
A poison by ingestion. When heated to decomposition Kaya-ace (CAS NO.3078-97-5) emits toxic vapors of NOx, SOx, and POx.
Kaya-ace , its cas register number is 3078-97-5. It also can be called O,O-Diethyl-O-(4-dimethylsulfamonylphenyl)phosphorothioate ; NK 0795 ; and Phosphorothioic acid, O,O-diethyl ester, O-ester with N,N-dimethyl-p- hydroxybenzenesulfonamide .
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