Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

Safety Information

132470

Sigma-Aldrich

4-Methoxybenzonitrile

99%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

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

Quality Level

100

Assay

99%

form

solid

bp

256-257 °C/765 mmHg (lit.)

mp

57-59 °C (lit.)

functional group

nitrile

SMILES string

COc1ccc(cc1)C#N

InChI

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

InChI key

XDJAAZYHCCRJOK-UHFFFAOYSA-N

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

132470-BULK:
132470-VAR:
132470-100G:4548173104638
132470-25G:4548173104645
132470-5G:4548173104652

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
STBK1103
STBJ6788
STBJ2505
STBF5812V
STBF1109V

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service