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Cas Database |
| Name |
5-Cyano-N-methyl-1-phenyl-1H-pyrazole-4-carboxamide |
EINECS | N/A |
| CAS No. | 98477-03-3 | Density | 1.24g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H10N4O | Boiling Point | 469°Cat760mmHg |
| Molecular Weight | 226.238 | Flash Point | 237.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | Moderately toxic by ingestion. |
| Synonyms |
N/A |
Article Data | 2 |
5-Cyano-N-methyl-1-phenyl-1H-pyrazole-4-carboxamide Chemical Properties
Molecule structure of 5-Cyano-N-methyl-1-phenyl-1H-pyrazole-4-carboxamide (CAS NO.98477-03-3):
IUPAC Name: 5-Cyano-N-methyl-1-phenylpyrazole-4-carboxamide
Molecular Weight: 226.234 g/mol
Molecular Formula: C12H10N4O
Density: 1.24 g/cm3
Boiling Point: 469 °C at 760 mmHg
Flash Point: 237.4 °C
Index of Refraction: 1.636
Molar Refractivity: 65.39 cm3
Molar Volume: 182.2 cm3
Polarizability: 25.92×10-24 cm3
Surface Tension: 51 dyne/cm
Enthalpy of Vaporization: 73.13 kJ/mol
Vapour Pressure: 5.72E-09 mmHg at 25 °C
XLogP3-AA: 1.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 226.085461
MonoIsotopic Mass: 226.085461
Topological Polar Surface Area: 70.7
Heavy Atom Count: 17
Complexity: 329
Canonical SMILES: CNC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C#N
InChI: InChI=1S/C12H10N4O/c1-14-12(17)10-8-15-16(11(10)7-13)9-5-3-2-4-6-9/h2-6,8H,1H3,(H,14,17)
InChIKey: HHQRKCHGUBYEGN-UHFFFAOYSA-N
Classification Code of 5-Cyano-N-methyl-1-phenyl-1H-pyrazole-4-carboxamide (CAS NO.98477-03-3): Reproductive Effect
5-Cyano-N-methyl-1-phenyl-1H-pyrazole-4-carboxamide Toxicity Data With Reference
| 1. | orl-qal LDLo:2 g/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0545114 . |
5-Cyano-N-methyl-1-phenyl-1H-pyrazole-4-carboxamide Safety Profile
Moderately toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx.
5-Cyano-N-methyl-1-phenyl-1H-pyrazole-4-carboxamide Specification
5-Cyano-N-methyl-1-phenyl-1H-pyrazole-4-carboxamide (CAS NO.98477-03-3) is also named as 1H-Pyrazole-4-carboxamide, 5-cyano-N-methyl-1-phenyl- .
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