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132470

4-Methoxybenzonitrile

Name: 4-Methoxybenzonitrile
Brand: ALDRICH

99%

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About This Item

Linear Formula:

CH₃OC₆H₄CN

CAS Number:

874-90-8

Molecular Weight:

133.15

NACRES:

NA.22

PubChem Substance ID:

24848053

UNSPSC Code:

12352100

EC Number:

212-871-6

MDL number:

MFCD00001818

Assay:

99%

Form:

solid

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Properties

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

Description

pictograms

GHS07

signalword

Warning

hcodes

H302 + H312

pcodes

P264 - P280 - P301 + P312 - P302 + P352 + P312 - P362 + P364 - P501

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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Reductions of aliphatic and aromatic nitriles to primary amines with diisopropylaminoborane.

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

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

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)

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Global Trade Item Number

SKU	GTIN
132470-25G	04061838729002
132470-100G	04061838345820