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53630

Homoveratronitrile

Name: Homoveratronitrile
Brand: SIAL

purum, ≥98.0% (GC)

Synonym(s):

(3,4-Dimethoxyphenyl)acetonitrile, 3,4-Dimethoxybenzylcyanide

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About This Item

Linear Formula:

(CH₃O)₂C₆H₃CH₂CN

CAS Number:

93-17-4

Molecular Weight:

177.20

EC Number:

202-225-1

UNSPSC Code:

12352100

PubChem Substance ID:

329757961

Beilstein/REAXYS Number:

1956100

MDL number:

MFCD00001911

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Properties

grade

purum

assay

≥98.0% (GC)

color

yellow

bp

171-178 °C/10 mmHg (lit.)

mp

62-63.5 °C (lit.), 62-64 °C

solubility

methanol: 0.1 g/mL, clear

SMILES string

COc1ccc(CC#N)cc1OC

InChI

1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3

InChI key

ASLSUMISAQDOOB-UHFFFAOYSA-N

Description

pictograms

GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

482.0 °F - closed cup

flash_point_c

250 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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[Toxicity of 3,4-dimethoxyphenylacetonitrile].

N S Grodetskaia et al.

Gigiena truda i professional'nye zabolevaniia, (2)(2), 55-55 (1982-02-01)

Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: a combined experimental and theoretical analysis.

Abdullah Mohamed Asiri et al.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 82(1), 444-455 (2011-08-23)

This work presents the synthesis and characterization of a novel compound, 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile (abbreviated as 3-(4MP)-2-(4-NP)-AN, C(16)H(12)N(2)O(3)). The spectroscopic properties of the compound were examined by FT-IR, UV-vis and NMR ((1)H and (13)C) techniques. FT-IR spectrum in solid state was observed