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| Name |
1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-phenylsemicarbazone |
EINECS | N/A |
| CAS No. | 119034-15-0 | Density | 1.17g/cm3 |
| PSA | 61.91000 | LogP | 2.58520 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H14 N4 O | Boiling Point | °Cat760mmHg |
| Molecular Weight | 242.31 | 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, 1-methyl-, 4-phenylsemicarbazone Chemical Properties
Molecular structure of 1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-phenylsemicarbazone (CAS NO.119034-15-0) is:
Product Name: 1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-phenylsemicarbazone
CAS Registry Number: 119034-15-0
IUPAC Name: 1-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-3-phenylurea
Molecular Weight: 242.27646 [g/mol]
Molecular Formula: C13H14N4O
XLogP3-AA: 1.6
H-Bond Donor: 2
H-Bond Acceptor: 2
Molar Volume: 206.237 cm3
Surface Tension: 46.392 dyne/cm
Density: 1.175 g/cm3
Canonical SMILES: CN1C=CC=C1C=NNC(=O)NC2=CC=CC=C2
Isomeric SMILES: CN1C=CC=C1/C=N/NC(=O)NC2=CC=CC=C2
InChI: InChI=1S/C13H14N4O/c1-17-9-5-8-12(17)10-14-16-13(18)15-11-6-3-2-4-7-11/h2-10H,1H3,(H2,15,16,18)/b14-10+
InChIKey: JVEMRXYMHBTPLT-GXDHUFHOSA-N
1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-phenylsemicarbazone Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 58ug/kg (0.058mg/kg) | Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 24, Pg. 822, 1989. |
1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-phenylsemicarbazone Safety Profile
A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx.
1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-phenylsemicarbazone Specification
1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-phenylsemicarbazone , its cas register number is 119034-15-0. It also can be called Semicarbazide, 4-phenyl-1-((1-methyl-2-pyrrolyl)methylene)- ; Hydrazinecarboxamide, 2-((1-methyl-1H-pyrrol-2-yl)methylene)-N-phenyl- (9CI) .
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