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Merck

271004

Acetonitrile

99.8%, anhydrous, suitable for solid phase extraction (SPE)

Synonym(s):

ACN, Cyanomethane, Ethyl nitrile, Methyl cyanide

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About This Item

Linear Formula:
CH3CN
CAS Number:
75-05-8
Molecular Weight:
41.05
NACRES:
NA.21
PubChem Substance ID:
57648217
eCl@ss:
39031501
UNSPSC Code:
12191502
EC Number:
200-835-2
MDL number:
MFCD00001878
Beilstein/REAXYS Number:
741857
Assay:
99.8%
Grade:
anhydrous
Technique(s):
solid phase extraction (SPE): suitable
Bp:
81-82 °C (lit.)
Vapor pressure:
72.8 mmHg ( 20 °C)

Key Documents

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Product Name

Acetonitrile, anhydrous, 99.8%

grade

anhydrous

Quality Level

200

InChI key

WEVYAHXRMPXWCK-UHFFFAOYSA-N

InChI

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

SMILES string

CC#N

vapor density

1.41 (vs air)

vapor pressure

72.8 mmHg ( 20 °C)

assay

99.8%

form

liquid

autoignition temp.

973 °F

expl. lim.

16 %

technique(s)

solid phase extraction (SPE): suitable

impurities

<0.001% water, <0.005% water (100 mL pkg)

evapn. residue

<0.0005%

color

colorless

refractive index

n20/D 1.344 (lit.)

bp

81-82 °C (lit.)

mp

−45 °C (lit.)

solubility

water: soluble (completely)

density

0.786 g/mL at 25 °C (lit.)

format

neat

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General description

Acetonitrile, an aliphatic nitrile, is widely used as an organic solvent and intermediate in organic syntheses. It is transparent to UV-visible light, which makes it highly applicable in spectrophotometric and fluorimetric techniques. MeCN is utilized as a mobile phase component in many chromatographic techniques, due to its low viscosity, high elution strength and miscibility in water. It also plays a major role as an extractant medium in liquid-liquid extraction, solid-phase extraction or microextraction.

Application

Acetonitrile may be used as a solvent to prepare:
  • 1,2-Azidoalcohols and 1,2-azidoamines via cerium(III) chloride assisted ring opening of epoxides and aziridines by sodium azide.
  • Cyano-bearing indolinones by oxidative arylalkylation of olefins in the presence of palladium catalyst.

It may also be used as a reactant to synthesize:
  • Bis (diphenylphosphino) acetonitrile by reacting with n-butyllithium and then with chlorodiphenylphosphine.
  • β-Acetamido ketones via coupling reaction with ketones or ketoesters and aldehydes in the presence of cobalt(II) chloride.

Packaging

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pictograms

FlameExclamation mark
GHS02,GHS07

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

flash_point_f

35.6 °F - closed cup

flash_point_c

2.0 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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

271004-12X100ML:4548173128443 + 271004-20L-P2: + 271004-200L-P2: + 271004-6X1L:4548173128511 + 271004-2L:4548173128481 + 271004-PZ: + 271004-200L-P1: + 271004-AR-200L-P1: + 6264740000: + 271004-OD-200L-P2: + 271004-200L-P2-B: + 271004-RSAMPLE: + 271004-56L:4548173128504 + 271004-8L: + 271004-4X2L:4548173128498 + 271004-200L:4548173128474 + 271004-50L-P2: + 271004-20L: + 271004-VAR: + 271004-250ML: + 271004-BULK: + 271004-CH-200LP1KO: + 271004-1L:4548173128467 + 271004-2L-KR: + 271004-18L-P1: + 271004-18L:4548173128450 + 271004-4X2L-KR: + 271004-100ML:4548173128436

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Certificates of Analysis (COA)

Lot/Batch Number
HMBK8604
HMBK8605
SHBT4219
HMBK8606
HMBK8137

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Bis (diphenylphosphino) acetonitrile: Synthesis, ligand properties and application in catalytic carbon?carbon coupling
Braun L, et al.
Dalton Transactions, 14, 1409-1415 (2007)
Cobalt-catalysed three-component coupling involving ketones or ketoesters, aldehydes and acetonitrile: a novel one-pot synthesis of ?-acetamido ketones
Madhavaa Reddy M.
Journal of the Chemical Society. Chemical Communications, 6, 713-714 (1994)
Eagleson M.
Concise Encyclopedia Chemistry, 56-56 (1994)
Palladium-Catalyzed Oxidative Arylalkylation of Activated Alkenes: Dual C-H Bond Cleavage of an Arene and Acetonitrile.
Wu T, et al.
Angewandte Chemie (International Edition in English), 50(52), 12578-12581 (2011)
Cerium (III) chloride promoted highly regioselective ring opening of epoxides and aziridines using NaN3 in acetonitrile: a facile synthesis of 1,2-azidoalcohols and 1,2-azidoamines.
Sabitha G, et al.
Organic Letters, 4(3), 343-345 (2002)
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Solvent Miscibility Table

Substances are said to be miscible in one another if they dissolve to form a uniform solution. Bookmark or download our miscibility table for common lab solvents.

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