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| Name |
6-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile |
EINECS | N/A |
| CAS No. | 57543-75-6 | Density | 1.18g/cm3 |
| PSA | 42.25000 | LogP | 2.38308 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H11NO2 | Boiling Point | 344.8°Cat760mmHg |
| Molecular Weight | 201.24 | Flash Point | 135.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | Moderately toxic. |
| Synonyms |
2H-1-BENZOPYRAN-3-CARBONITRILE,6-METHOXY-2-METHYL;6-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile; |
6-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile Chemical Properties
IUPAC Name: 6-methoxy-2-methyl-2H-chromene-3-carbonitrile
Empirical Formula: C12H11NO2
Molecular Weight: 201.2212g/mol
Structure of 6-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile (CAS NO.57543-75-6):
Index of Refraction: 1.57
Molar Refractivity: 55.56 cm3
Molar Volume: 169.1 cm3
Polarizability: 22.02×10-24cm3
Surface Tension: 46.9 dyne/cm
Density: 1.18 g/cm3
Flash Point: 135.6 °C
Enthalpy of Vaporization: 58.88 kJ/mol
Boiling Point: 344.8 °C at 760 mmHg
Vapour Pressure: 6.44E-05 mmHg at 25°C
Canonical SMILES: CC1C(=CC2=C(O1)C=CC(=C2)OC)C#N
InChI: InChI=1S/C12H11NO2/c1-8-10(7-13)5-9-6-11(14-2)3-4-12(9)15-8/h3-6,8H,1-2H3
InChIKey: UUSZDXMVPFHPTG-UHFFFAOYSA-N
6-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile Toxicity Data With Reference
| 1. | ipr-mus LD50:1500 mg/kg | EJMCA5 European Journal of Medicinal Chemistry. Chimie Therapeutique. 11 (1976),81. |
6-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
6-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile Specification
6-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile , its cas register number is57543-75-6. It also can be called 5-18-07-00380 (Beilstein Handbook Reference) ; BRN 1374809 . 6-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile (CAS NO.57543-75-6) is moderate toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
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