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MilliporeSigma

132470

4-Methoxybenzonitrile

99%

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About This Item

Linear Formula:
CH3OC6H4CN
CAS Number:
874-90-8
Molecular Weight:
133.15
MDL number:
MFCD00001818
NACRES:
NA.22
PubChem Substance ID:
24848053
UNSPSC Code:
12352100
EC Number:
212-871-6
Assay:
99%
Form:
solid

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InChI key

XDJAAZYHCCRJOK-UHFFFAOYSA-N

InChI

1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3

SMILES string

COc1ccc(cc1)C#N

assay

99%

form

solid

bp

256-257 °C/765 mmHg (lit.)

mp

57-59 °C (lit.)

functional group

nitrile

Quality Level

100

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1 of 4

This Item
D132306H52201154393
4-Methoxybenzonitrile 99%

Sigma-Aldrich

132470

4-Methoxybenzonitrile

3,4-Dimethoxybenzonitrile ≥99%

Sigma-Aldrich

D132306

3,4-Dimethoxybenzonitrile

4-Hydroxy-4-phenylpiperidine 99%

Sigma-Aldrich

H52201

4-Hydroxy-4-phenylpiperidine

4-Acetylbenzonitrile 99%

Sigma-Aldrich

154393

4-Acetylbenzonitrile

assay

99%

assay

≥99%

assay

99%

assay

99%

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

bp

256-257 °C/765 mmHg (lit.)

bp

-

bp

-

bp

-

mp

57-59 °C (lit.)

mp

68-70 °C (lit.)

mp

157-161 °C (lit.)

mp

56-59 °C (lit.)

form

solid

form

powder

form

-

form

solid

functional group

nitrile

functional group

-

functional group

-

functional group

ketone, nitrile

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN7721
STBK1103
STBJ6788
STBJ2505
STBF5812V

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Dustin Haddenham et al.
The Journal of organic chemistry, 74(5), 1964-1970 (2009-02-05)
Diisopropylaminoborane [BH(2)N(iPr)(2)] in the presence of a catalytic amount of lithium borohydride (LiBH(4)) reduces a large variety of aliphatic and aromatic nitriles in excellent yields. BH(2)N(iPr)(2) can be prepared by two methods: first by reacting diisopropylamineborane [(iPr)(2)N:BH(3)] with 1.1 equiv
Guillermo Diaz Fleming et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 71(3), 1074-1079 (2008-04-29)
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 calculation shows different tilted positions for the isomers under study.
Statistical copolymers with side-chain hole and electron transport groups for single-layer electroluminescent device applications.
Jiang X, et al.
Chemistry of Materials, 12(9), 2542-2549 (2000)
[Catalysts for demethylation of methoxybenzonitrile in liquid-phase (author's transl)].
H Kashiwagi et al.
Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan, 100(6), 668-671 (1980-06-01)
Qingqing Mei et al.
Science advances, 4(5), eaaq0266-eaaq0266 (2018-05-26)
Ether bond activation is very interesting because the synthesis of many valuable compounds involves conversion of ethers. Moreover, C-O bond cleavage is also very important for the transformation of biomass, especially lignin, which abundantly contains ether bonds. Developing efficient methods
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