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| Name |
1H-Pyrrole-2-carboxaldehyde, 4-phenylsemicarbazone |
EINECS | N/A |
| CAS No. | 119034-14-9 | Density | 1.23g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H12 N4 O | Boiling Point | °Cat760mmHg |
| Molecular Weight | 228.28 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
1H-Pyrrole-2-carboxaldehyde, 4-phenylsemicarbazone Chemical Properties
Molecular structure of 1H-Pyrrole-2-carboxaldehyde, 4-phenylsemicarbazone (CAS NO.119034-14-9) is:
Product Name: 1H-Pyrrole-2-carboxaldehyde, 4-phenylsemicarbazone
CAS Registry Number: 119034-14-9
IUPAC Name: 1-phenyl-3-[[(Z)-pyrrol-2-ylidenemethyl]amino]urea
Molecular Weight: 228.24988 [g/mol]
Molecular Formula: C12H12N4O
XLogP3-AA: 1.1
H-Bond Donor: 3
H-Bond Acceptor 3
Molar Volume: 184.9 cm3
Surface Tension: 50.4 dyne/cm
Density: 1.23 g/cm3
Canonical SMILES: C1=CC=C(C=C1)NC(=O)NNC=C2C=CC=N2
Isomeric SMILES: C1=CC=C(C=C1)NC(=O)NN/C=C\2/C=CC=N2
InChI: InChI=1S/C12H12N4O/c17-12(15-10-5-2-1-3-6-10)16-14-9-11-7-4-8-13-11/h1-9,14H,(H2,15,16,17)/b11-9-
InChIKey: STFFGKCREKBHDZ-LUAWRHEFSA-N
1H-Pyrrole-2-carboxaldehyde, 4-phenylsemicarbazone Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 185ug/kg (0.185mg/kg) | Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 24, Pg. 822, 1989. |
1H-Pyrrole-2-carboxaldehyde, 4-phenylsemicarbazone Safety Profile
A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx.
1H-Pyrrole-2-carboxaldehyde, 4-phenylsemicarbazone Specification
1H-Pyrrole-2-carboxaldehyde, 4-phenylsemicarbazone , its cas register number is 119034-14-9. It also can be called Semicarbazide, 4-phenyl-1-(2-pyrrolylmethylene)- ; Hydrazinecarboxamide, N-phenyl-2-(1H-pyrrol-2-ylmethylene)-(9CI) .
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