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113360

Sigma-Aldrich

3,4,5-Trimethoxyphenylacetonitrile

97%

Synonym(s):

3,4,5-Trimethoxybenzyl cyanide

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About This Item

Linear Formula:
(CH3O)3C6H2CH2CN
CAS Number:
13338-63-1
Molecular Weight:
207.23
Beilstein:
2214548
EC Number:
236-388-5
MDL number:
MFCD00001912
UNSPSC Code:
12352100
PubChem Substance ID:
24846877
NACRES:
NA.22

Quality Level

100

Assay

97%

form

solid

mp

77-79 °C (lit.)

SMILES string

COc1cc(CC#N)cc(OC)c1OC

InChI

1S/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H3

InChI key

ACFJNTXCEQCDBX-UHFFFAOYSA-N

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General description

3,4,5-Trimethoxyphenylacetonitrile is synthesized by the condensation of 3 : 4 : 5-trimethoxybenzaldehyde with hippuric acid.

Application

3,4,5-Trimethoxyphenylacetonitrile is used as an internal standard during the determination of vancomycin in serum. The method used involved a direct and rapid solvent precipitation of protein.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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A F Rosenthal et al.
Clinical chemistry, 32(6), 1016-1019 (1986-06-01)
We simplified determination of vancomycin in serum by using a direct and rapid solvent precipitation of protein and by using a simple organic compound as internal standard. Reproductibility of the vancomycin retention time was improved by modifying the mobile phase.
XXII.?Synthetical experiments in the isoflavone group.Part IV. A synthesis of 2-methylirigenol.
Baker W and Robinson R.
Journal of the Chemical Society, 152-161 (1929)

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