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Safety Information

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

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

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

JAN Code

113360-100G:4548173103150
113360-10G:4548173103167
113360-VAR:
113360-BULK:
113360-5G:4548173103174

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Certificates of Analysis (COA)

Lot/Batch Number
STBK4648
STBJ9678
STBJ6143
STBD9148V
06215JP

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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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