4-Methoxybenzonitrile

Names

[ CAS No. ]:
874-90-8

[ Name ]:
4-Methoxybenzonitrile

[Synonym ]:
4-Methoxybenzonitrile
EINECS 212-871-6
MFCD00001818
Benzonitrile, 4-methoxy-

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
256.5±0.0 °C at 760 mmHg

[ Melting Point ]:
57-59 °C(lit.)

[ Molecular Formula ]:
C₈H₇NO

[ Molecular Weight ]:
133.147

[ Flash Point ]:
104.3±13.7 °C

[ Exact Mass ]:
133.052765

[ PSA ]:
33.02000

[ LogP ]:
1.87

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.527

[ Water Solubility ]:
soluble

MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S36/37

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
29269095

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Benzaldehyde,4-methoxy-, oxime, (E)-
1-(azidomethyl)-4-methoxybenzene
4-Bromoanisole
N,N-Dimethylformamide
Ethyl 4-methoxybenzoate
4-Methoxybenzyl alcohol
4,N-DIMETHOXY-N-METHYLBENZAMIDE
Oxirane,2-(4-methoxyphenyl)-
p-Methoxy-N,N-dimethylbenzamide
zinc,dicyanide

DownStream

3-AMINO-3-(4-METHOXYPHENYL)-2-METHYLPROP-2-ENETHIOAMIDE
3-(4-METHOXYPHENYL)-4-METHYLISOTHIAZOL-5-AMINE
3-AMINO-3-(4-METHOXYPHENYL)-2-METHYLACRYLONITRILE
4-Methoxybenzenecarbothioic acid O-ethyl ester
2-(4-METHOXYPHENYL)-4,4-DIMETHYL-4,5-DIHYDRO-1,3-OXAZOLE
3-(4-Methoxyphenyl)-3-oxopropanenitrile
4-(Trifluoromethoxy)benzamide
4-METHOXY-3-NITROBENZONITRILE
3-Fluoro-4-methoxybenzonitrile
3,5-Difluoro-4-methoxybenzonitrile

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Vibrational analysis of substituted benzonitriles. III. Transferability of force constants--the case of some halogeno-, methoxy- and nitro-benzonitriles.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 53A(12) , 2041-8, (1997)

A zero-order normal coordinate analysis of both the in-plane and out-of-plane vibrations was made for 2-chloro, 6-fluorobenzonitrile, s-trichlorobenzonitrile, p- and m-methoxybenzonitriles and m-nitro...

Theoretical surface-enhanced Raman spectra study of substituted benzenes II. Density functional theoretical SERS modelling of o-, m-, and p-methoxybenzonitrile.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 71(3) , 1074-9, (2008)

The SERS modelling of o-, m-, and p-methoxybenzonitrile has been performed following the same methodology that in Part I. Optimized structure obtained from DFT calculations in a B3LYP-LANL2DZ level of...

[Catalysts for demethylation of methoxybenzonitrile in liquid-phase (author's transl)].

Yakugaku Zasshi 100(6) , 668-71, (1980)