2,2-DIMETHYL-2H-CHROMENE-6-CARBONITRILE

Base Information

• Chemical Name: 2,2-DIMETHYL-2H-CHROMENE-6-CARBONITRILE
• CAS No.: 33143-29-2
• Molecular Formula: C12H11NO
• Molecular Weight: 185.225
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID20381262
• Nikkaji Number: J633.641H
• Wikidata: Q72469424
• Mol file: 33143-29-2.mol

Synonyms:2,2-Dimethyl-2H-benzo[b]pyran-6-carbonitrile;2,2-Dimethyl-6-cyano-2H-1-benzopyran;2,2-Dimethyl-6-cyanochromene;6-Cyano-2,2-dimethyl-2H-1-benzopyran;6-Cyano-2,2-dimethyl-2H-chromene;6-Cyano-2,2-dimethylbenzopyran;6-Cyano-2,2-dimethylchromene;

Chemical Property of 2,2-DIMETHYL-2H-CHROMENE-6-CARBONITRILE

Chemical Property:

• Appearance/Colour: Pale Yellow Crystalline Solid
• Vapor Pressure: 0.00108mmHg at 25°C
• Melting Point: 45-49 °C
• Refractive Index: 1.578
• Boiling Point: 301 °C at 760 mmHg
• Flash Point: 126.8 °C
• PSA: 33.02000
• Density: 1.13 g/cm³
• LogP: 2.74248
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 185.084063974
• Heavy Atom Count: 14
• Complexity: 297

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Cyano-2,2-dimethyl-2H-benzo-[b]-pyran ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C=CC2=C(O1)C=CC(=C2)C#N)C
• Uses: 6-Cyano-2,2-dimethyl-2H-benzo-[b]-pyran (cas# 33143-29-2) is a compound useful in organic synthesis. 2,2-Dimethyl-2H-1-benzopyran-6-carbonitrile (6-Cyano-2,2-dimethylchromene) may be used in the synthesis of 3,4-epoxy-6-cyano-2,2-dimethylchromene via epoxidation.