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| Name |
1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-(p-chlorophenyl)thiosemicarbazone |
EINECS | N/A |
| CAS No. | 119033-85-1 | Density | 1.29g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H13 Cl N4 S | Boiling Point | 431.04°C at 760 mmHg |
| Molecular Weight | 292.81 | Flash Point | 214.486°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-(p-chlorophenyl)thiosemicarbazone Chemical Properties
The Molecular Structure of 1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-(p-chlorophenyl)thiosemicarbazone (CAS NO.119033-85-1):
Molecular Formula: C13H13ClN4S
Molecular Weight: 292.787120 g/mol
IUPAC: 1-(4-chlorophenyl)-3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiourea
Density: 1.29 g/cm3
Flash Point: 214.486 °C
Enthalpy of Vaporization: 68.66 kJ/mol
Boiling Point: 431.04 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Polar Surface Area: 73.44 Å2
Index of Refraction: 1.644
Molar Refractivity: 82.219 cm3
Molar Volume: 226.96 cm3
Surface Tension: 45.736 dyne/cm
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 5
ACD/LogD (pH 7.4): 5
ACD/BCF (pH 5.5): 1912
ACD/BCF (pH 7.4): 1909
ACD/KOC (pH 5.5): 7770
ACD/KOC (pH 7.4): 7758
InChI: InChI=1/C13H13ClN4S/c1-18-8-2-3-12(18)9-15-17-13(19)16-11-6-4-10(14)5-7-11/h2-9H,1H3,(H2,16,17,19)/b15-9+
Smiles: N(\N=C\c1n(ccc1)C)C(Nc1ccc(cc1)Cl)=S
1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-(p-chlorophenyl)thiosemicarbazone Toxicity Data With Reference
| 1. | orl-mus LD50:7519 µg/kg | YHHPAL Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. 24 (1989),822. |
1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-(p-chlorophenyl)thiosemicarbazone Safety Profile
A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−.
1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-(p-chlorophenyl)thiosemicarbazone Specification
1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-(p-chlorophenyl)thiosemicarbazone (CAS NO.119033-85-1) is also called as Semicarbazide, 4-(p-chlorophenyl)-1-((1-methyl-2-pyrrolyl)methylene)-3-thio- ; Hydrazinecarbothioamide, N-(4-chlorophenyl)-2-((1-methyl-1H-pyrrol-2-yl)methylene)- (9CI) .
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