494445

Sigma-Aldrich

Acetonitrile

biotech. grade, ≥99.93%

Synonym(s):
Cyanomethane, Methyl cyanide, ACN, Ethyl nitrile
Linear Formula:
CH3CN
CAS Number:
Molecular Weight:
41.05
Beilstein/REAXYS Number:
741857
EC Number:
MDL number:
eCl@ss:
39031501
PubChem Substance ID:
NACRES:
NA.21

Quality Level

grade

biotech. grade

vapor density

1.41 (vs air)

vapor pressure

72.8 mmHg ( 20 °C)

assay

≥99.93%

form

liquid

autoignition temp.

973 °F

expl. lim.

16 %

impurities

≤0.5 ppb as quinine (fluorimetric, 254nm)
≤0.6 μeq/g Titr. base
≤8 μeq/g Titr. acid
<0.001% water

evapn. residue

<0.0002%

color

APHA: <10

refractive index

n20/D 1.344 (lit.)

bp

81-82 °C (lit.)

mp

−45 °C (lit.)

solubility

water: soluble

density

0.786 g/mL at 25 °C (lit.)

λ

H2O reference

UV absorption

λ: 190 nm Amax: 1.0
λ: 210 nm Amax: 0.03
λ: 220 nm Amax: 0.01
λ: 235 nm Amax: 0.005
λ: 254 nm Amax: ≤0.005
λ: 400 nm Amax: 0.005

SMILES string

CC#N

InChI

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

InChI key

WEVYAHXRMPXWCK-UHFFFAOYSA-N

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Packaging

20 L in Nowpak™ II
4×4 L in glass bottle
100 mL in Sure/Seal™
1, 2 L in Sure/Seal™
18 L in Pure-Pac™ 1
20, 50 L in Pure-Pac™ 2
200, 400 L in Pure-Pac™ 1

Preparation Note

Product filtered through a 0.2 μm filter.

Other Notes

Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.

Legal Information

Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

Pictograms

FlameExclamation mark

Signal Word

Danger

RIDADR

UN 1648 3 / PGII

WGK Germany

WGK 2

Flash Point(F)

42.8 °F - closed cup

Flash Point(C)

6.0 °C - closed cup

Certificate of Analysis

Certificate of Origin

Synthesis and Characterization of Electrochromic Films Based on 2,5-Bis (2-(3,4-ethylenedioxy) thienyl) pyridine.
Triantou D, et al.
International Journal of Electrochemical Science, 10, 1274-1291 (2015)
Eagleson M.
Concise Encyclopedia Chemistry, 56-56 (1994)
Effect of the acceptor moiety on the electrochemical and electrochromic properties of Donor-Acceptor-Donor polymer films.
Triantou D, et al.
International Journal of Electrochemical Science, 10, 3458-3477 (2015)
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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