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Merck

900667

Acetonitrile

≥99.92%, suitable for mass spectrometry (MS), UHPLC

Synonym(s):

ACN, Cyanomethane, Ethyl nitrile, Methyl cyanide

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About This Item

Linear Formula:
CH3CN
CAS Number:
Molecular Weight:
41.05
UNSPSC Code:
12191502
NACRES:
NA.21
EC Number:
200-835-2
Beilstein/REAXYS Number:
741857
MDL number:
Assay:
≥99.92%
Grade:
HPLC grade
Technique(s):
mass spectrometry (MS): suitable
Bp:
81-82 °C (lit.)
Vapor pressure:
72.8 mmHg ( 20 °C)
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Product Name

Acetonitrile, for UHPLC, suitable for mass spectrometry (MS)

InChI key

WEVYAHXRMPXWCK-UHFFFAOYSA-N

InChI

1S/C2H3N/c1-2-3/h1H3

SMILES string

CC#N

grade

HPLC grade

agency

suitable for ASTM® 7968, suitable for ASTM® 7979, suitable for DIN 38407-42, suitable for EPA 1633, suitable for EPA 8327, suitable for GB 31604.35-2016, suitable for GB 5009.253-2016, suitable for ISO 21675 2019

reg. compliance

suitable for FDA C-010.02

vapor density

1.41 (vs air)

vapor pressure

72.8 mmHg ( 20 °C)

assay

≥99.92%

form

liquid

autoignition temp.

973 °F

expl. lim.

16 %

technique(s)

mass spectrometry (MS): suitable

refractive index

n20/D 1.344 (lit.)

bp

81-82 °C (lit.)

mp

−45 °C (lit.)

density

0.786 g/mL at 25 °C (lit.)

application(s)

PFAS testing
food and beverages

format

neat

Quality Level

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General description

Acetonitrile, an aliphatic nitrile, is a highly volatile, aprotic polar organic solvent that finds wide use in analytical determinations. It is UV-transparent − a property that facilitates its utilization in spectrophotometric and fluorimetric analyses. Its low viscosity, high elution strength and miscibility in water makes it viable in many chromatography systems.
Its other applications include its use as a mobile phase additive and as an extraction solvent in liquid-liquid extraction (LLC), solid-phase extraction (SPE) and microextraction for chromatographic applications, etc.

Application

Acetonitrile may be used:
  • As an extraction solvent for the quantification of pesticide analytes in foodstuffs and tea, industrial dyes in juice and wine by ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS).
  • As an organic modifier in the determination of bisphenol A-diglycidyl ether, bisphenol F-diglycidyl ether and their derivatives in canned food and beverages by fast LC–MS/MS.

Acetonitrile, an organic solvent, is used as a mobile phase/extraction solvent in the ultra-high performance liquid chromatorgraphy − tandem mass spectrometry (UHPLC-MS) analysis of pesticides in tobacco samples. It can be potentially used with a reverse-phase column to determine the concentration of diclofenac (DCF).

Legal Information

ASTM is a registered trademark of American Society for Testing and Materials

pictograms

FlameExclamation mark

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

35.6 °F - closed cup

flash_point_c

2.0 °C - closed cup


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.

Deleterious substance

pdsc

Group 4: Flammable liquids + Type 1 petroleums + Hazardous rank II + Water soluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

900667-VAR: + 900667-250ML:4548174010105 + 900667-BULK: + 900667-4X4L:4548174010112 + 900667-1L:4548174010099 + 900667-100ML:4548174010082

jan


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Determination of 27 industrial dyes in juice and wine using ultra performance liquid chromatography with electrospray ionization tandem quadrupole mass spectrometry
Zhao S, et al.
Se Pu / Chinese Journal of Chromatography, 28(4), 356-362 (2010)
Barbara Giroud et al.
Journal of chromatography. A, 1316, 53-61 (2013-10-15)
Beebread is among the matrices suspected of contaminating honeybee. To better understand this contamination, the study aimed to develop an efficient, sensitive and reliable analytical method for the trace analysis of pesticides in beebread. This study focuses specifically on the
Rapid determination of organonitrogen, organophosphorus and carbamate pesticides in tea by ultrahigh-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS)
Zhao HX, et al.
Food Analytical Methods, 6(2), 497-505 (2013)
Acetonitrile, the polarity chameleon.
P K Zarzycki et al.
Analytical and bioanalytical chemistry, 397(3), 905-908 (2010-04-13)
Comparison of ultra-performance liquid chromatography and high-performance liquid chromatography for the determination of priority pesticides in baby foods by tandem quadrupole mass spectrometry.
Leandro CC, et al.
Journal of Chromatography A, 1103(1), 94-101 (2006)

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