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HomeProduct name list4'-Methyl-2-cyanobiphenyl

4'-Methyl-2-cyanobiphenyl

  • CAS NO.:114772-53-1
  • Empirical Formula: C14H11N
  • Molecular Weight: 193.24
  • MDL number: MFCD00151805
  • EINECS: 422-310-9
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-01 18:09:03
4'-Methyl-2-cyanobiphenyl Structural

What is 4'-Methyl-2-cyanobiphenyl?

Chemical properties

White crystalline powder

The Uses of 4'-Methyl-2-cyanobiphenyl

4'-Methylbiphenyl-2-carbonitrile is an intermediate in the synthesis of glycogen synthase kinase-3 inhibitors with a selective sting for glycogen synthase kinase 3α.

Synthesis

4'-Methyl-2-cyanobiphenyl is prepared by the reaction of o-cyanobromobenzene and potassium (4-methylphenyl)trifluoroborate. The specific synthesis steps are as follows:
General procedure: A mixture of aryl halide (0.5 mmol), potassium aryltrifluoroborate (0.6 mmol), K2CO3 (1.0 mmol), Pd/C (5%; 0.5 mol%), ethanol (3 mL), and distilled water (1 mL) was stirred at 80 °C in air for the time indicated. The reaction mixture was added to brine (15 mL) and extracted with ethyl acetate (4×15 mL). The organic solvent was removed under vacuum, and the product was isolated by short-column chromatography.
4'-Methyl-2-cyanobiphenyl synthesis

Properties of 4'-Methyl-2-cyanobiphenyl

Melting point: 49 °C
Boiling point: >320°C
Density  1,17 g/cm3
vapor pressure  0.014Pa at 20℃
Flash point: >320°C
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Crystalline Powder
color  Off-white to beige
BRN  3605954
InChI InChI=1S/C14H11N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h2-9H,1H3
CAS DataBase Reference 114772-53-1(CAS DataBase Reference)
NIST Chemistry Reference Benzonitrile, 2-(4-methylphenyl)-(114772-53-1)

Safety information for 4'-Methyl-2-cyanobiphenyl

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
ghs
Health Hazard
GHS08
ghs
Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H312:Acute toxicity,dermal
H313:Acute toxicity,dermal
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H332:Acute toxicity,inhalation
H361:Reproductive toxicity
H372:Specific target organ toxicity, repeated exposure
H401:Hazardous to the aquatic environment, acute hazard
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P201:Obtain special instructions before use.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P405:Store locked up.
P501:Dispose of contents/container to..…

Computed Descriptors for 4'-Methyl-2-cyanobiphenyl

InChIKey ZGQVZLSNEBEHFN-UHFFFAOYSA-N
SMILES C1(C2=CC=C(C)C=C2)=CC=CC=C1C#N

4'-Methyl-2-cyanobiphenyl manufacturer

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