Product Name

  • Name

    6-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile

  • EINECS
  • CAS No. 57543-75-6
  • Density 1.18g/cm3
  • Solubility
  • Melting Point
  • Formula C12H11NO2
  • Boiling Point 344.8°Cat760mmHg
  • Molecular Weight 201.24
  • Flash Point 135.6°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 57543-75-6 (6-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile)
  • Hazard Symbols Moderately toxic.
  • Synonyms 2H-1-BENZOPYRAN-3-CARBONITRILE,6-METHOXY-2-METHYL;6-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile;
  • PSA 42.25000
  • LogP 2.38308

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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