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| CAS No.: | 17710-62-2 |
|---|---|
| Name: | 4-Chlorophenylthiocarbamic acid O-(4-chlorophenyl) ester |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C13H9Cl2NOS |
| Molecular Weight: | 298.193 |
| Density: | 1.446g/cm3 |
| Boiling Point: | 388.9°Cat760mmHg |
| Flash Point: | 189°C |
| Safety: | Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Cl−, SOx, and NOx. See also CARBAMATES and ESTERS. |
| PSA: | 53.35000 |
| LogP: | 4.84220 |
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Chemistry
Empirical Formula of p-Chlorophenyl N-(4'-chlorophenyl)thiocarbamate (CAS NO.17710-62-2): C13H9Cl2NOS
Molecular Weight: 298.1877
Index of Refraction: 1.694
Density: 1.446 g/cm3
Flash Point: 189 °C
Enthalpy of Vaporization: 63.81 kJ/mol
Boiling Point: 388.9 °C at 760 mmHg
Vapour Pressure: 2.97E-06 mmHg at 25 °C
Structure of p-Chlorophenyl N-(4'-chlorophenyl)thiocarbamate (CAS NO.17710-62-2):
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IUPAC Name: O-(4-Chlorophenyl) N-(4-chlorophenyl)carbamothioate
Canonical SMILES: C1=CC(=CC=C1NC(=S)OC2=CC=C(C=C2)Cl)Cl
InChI: InChI=1S/C13H9Cl2NOS/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H,16,18)
InChIKey: TTZHARBPVDBEQM-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-mus LD50:2161 mg/kg | YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. 88 (1968),465. | ||
| 2. | ipr-mus LD50:426 mg/kg | YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. 88 (1968),465. | ||
| 3. | scu-mus LD50:462 mg/kg | YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. 88 (1968),465. |
Safety Profile
Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. When heated to decomposition p-Chlorophenyl N-(4'-chlorophenyl)thiocarbamate (CAS NO.17710-62-2) emits toxic fumes of Cl−, SOx, and NOx. See also CARBAMATES and ESTERS.
Specification
p-Chlorophenyl N-(4'-chlorophenyl)thiocarbamate , its cas register number is 17710-62-2. It also can be called p-Chlorothiocarbanilic acid O-(p-chlorophenyl) ester ; and Carbanilic acid, p-chlorothio-, O-(p-chlorophenyl) ester .