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HomeProduct name list2-Methoxybenzonitrile

2-Methoxybenzonitrile

  • CAS NO.:6609-56-9
  • Empirical Formula: C8H7NO
  • Molecular Weight: 133.15
  • MDL number: MFCD00001783
  • EINECS: 229-559-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-08-24 19:19:26
2-Methoxybenzonitrile Structural

What is 2-Methoxybenzonitrile?

Chemical properties

Colorless liquid

The Uses of 2-Methoxybenzonitrile

2-Methoxybenzonitrile was used in the synthesis of 5-(4′-methyl [1,1′-biphenyl]-2-yl)-1H-tetrazole.

Preparation

o-Anisidine with sodium nitrite to make a diazonium salt solution, add it to the lead cyanide solution, and then add benzene. Put the mixture for 10-15h and carry out steam distillation, separate the benzene layer from the distillate, dry it with calcium chloride, evaporate the benzene, and distill the residue under reduced pressure, collect 120-122.5°C (1.2kPa fraction) to get 2-Methoxybenzonitrile, yield 64.5-67.3%.

Synthesis Reference(s)

Journal of the American Chemical Society, 77, p. 109, 1955 DOI: 10.1021/ja01606a035
Synthesis, p. 641, 1992
Tetrahedron Letters, 32, p. 1007, 1991 DOI: 10.1016/S0040-4039(00)74473-X

General Description

Surface-enhanced Raman spectra study of 2-methoxybenzonitrile has been reported.

Properties of 2-Methoxybenzonitrile

Melting point: 24.5°C
Boiling point: 135 °C12 mm Hg(lit.)
Density  1.093 g/mL at 25 °C(lit.)
refractive index  n20/D 1.5465(lit.)
Flash point: >230 °F
storage temp.  Sealed in dry,Room Temperature
Water Solubility  Slightly soluble in water
form  Liquid
color  Clear colorless to pale yellow
BRN  2207134
InChI InChI=1S/C8H7NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3
CAS DataBase Reference 6609-56-9(CAS DataBase Reference)
NIST Chemistry Reference o-Methoxybenzonitrile(6609-56-9)

Safety information for 2-Methoxybenzonitrile

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 2-Methoxybenzonitrile

InChIKey FSTPMFASNVISBU-UHFFFAOYSA-N
SMILES C(#N)C1=CC=CC=C1OC

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