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209392

Sigma-Aldrich

3-Methoxyphenylacetonitrile

99%

Synonym(s):

3-Methoxybenzyl cyanide

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About This Item

Linear Formula:
CH3OC6H4CH2CN
CAS Number:
19924-43-7
Molecular Weight:
147.17
Beilstein:
1865539
EC Number:
243-428-5
MDL number:
MFCD00001910
UNSPSC Code:
12352100
PubChem Substance ID:
24852567
NACRES:
NA.22

Quality Level

100

Assay

99%

form

liquid

refractive index

n20/D 1.532 (lit.)

bp

164-165 °C/20 mmHg (lit.)

density

1.054 g/mL at 25 °C (lit.)

functional group

nitrile

SMILES string

COc1cccc(CC#N)c1

InChI

1S/C9H9NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5H2,1H3

InChI key

LXKNAUOWEJWGTE-UHFFFAOYSA-N

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Application

3-Methoxyphenylacetonitrile was used in the synthesis of:
  • new immunogen for homovanillic acid
  • β,β′-cyclobisalkylated melatoninergic phenylalkylamides
  • α-sec-butyl-3-methoxy phenylacetonitrile, antispasmodic agent

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

208.4 °F - closed cup

Flash Point(C)

98 °C - closed cup

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

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

209392-25G:4548173115627
209392-BULK:
209392-VAR:
209392-5G:4548173115634

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Certificates of Analysis (COA)

Lot/Batch Number
MKBG7971V
MKBD3952V
MKBD3952
08011CJ
04627CH

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Suphannika Intanon et al.
Journal of agricultural and food chemistry, 62(30), 7423-7429 (2014-07-08)
Meadowfoam (Limnanthes alba Hartw. ex Benth.) is an oilseed crop grown in the Willamette Valley of Oregon. Meadowfoam seed meal (MSM), a byproduct after oil extraction, contains 2-4% glucosinolate (glucolimnanthin). Activated MSM, produced by adding freshly ground myrosinase-active meadowfoam seeds
Synthesis of a homovanillic acid immunogen that incorporates an isosteric group designed to generate antibodies with improved specificity.
Gallacher G, et al.
Biogenic Amines, 11(1), 49-62 (1995)
An Efficient Synthesis of Simple, ?,?′-Cyclobisalkylated Melatoninergic Phenylalkylamides.
Tsotinis A, et al.
Letters in Organic Chemistry, 4(2), 92-95 (2007)
Antispasmodic agents. 1. Syntheses and pharmacological activity of aminoalkyl 3-substituted phenylacetates.
T Kametani et al.
Journal of medicinal chemistry, 14(1), 72-75 (1971-01-01)

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