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4-Methoxybenzonitril

Name: 4-Methoxybenzonitril
Brand: ALDRICH

99%

Anmeldenzur Ansicht organisationsspezifischer und vertraglich vereinbarter Preise

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About This Item

Lineare Formel:

CH₃OC₆H₄CN

CAS-Nummer:

874-90-8

Molekulargewicht:

133.15

EG-Nummer:

212-871-6

MDL-Nummer:

MFCD00001818

UNSPSC-Code:

12352100

PubChem Substanz-ID:

24848053

NACRES:

NA.22

Assay

99%

Form

solid

bp

256-257 °C/765 mmHg (lit.)

mp (Schmelzpunkt)

57-59 °C (lit.)

SMILES String

COc1ccc(cc1)C#N

InChI

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

InChIKey

XDJAAZYHCCRJOK-UHFFFAOYSA-N

Piktogramme

GHS07

Signalwort

Warning

H-Sätze

H302 + H312

P-Sätze

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

Gefahreneinstufungen

Acute Tox. 4 Dermal - Acute Tox. 4 Oral

Lagerklassenschlüssel

11 - Combustible Solids

WGK

WGK 3

Persönliche Schutzausrüstung

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

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)

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.

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

A P Kumar et al.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 53A(12), 2041-2048 (1998-01-23)

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-nitrobenzonitrile, transferring the force constants from our earlier work. The observed and calculated frequencies agree with an average

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