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113360

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846877
EC Number:
236-388-5
Beilstein/REAXYS Number:
2214548
MDL number:
MFCD00001912
Assay:
97%
Form:
solid
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Quality Segment

assay

97%

form

solid

mp

77-79 °C (lit.)

functional group

nitrile

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

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 Codes

H302 + H312 + H332

Hazard Classifications

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

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

PPE (personal protective equipment)

dust mask type N95 (US), Eyeshields, Gloves

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