2-Methoxybenzonitrile Chemical Properties

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

InChIKey

FSTPMFASNVISBU-UHFFFAOYSA-N

SMILES

C(#N)C1=CC=CC=C1OC

CAS DataBase Reference

6609-56-9(CAS DataBase Reference)

NIST Chemistry Reference

o-Methoxybenzonitrile(6609-56-9)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39

RIDADR 

3276

WGK Germany 

3

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269090

MSDS

• Language:English Provider:2-Methoxybenzonitrile
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

2-Methoxybenzonitrile Usage And Synthesis

Chemical Properties

Colorless liquid

Uses

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.

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