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

signalword

Danger

hazcat

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

storage_class_code

3 - Flammable liquids

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)
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)
Basicity of some organic superbases in acetonitrile.
Kovacevic B and Maksic ZB.
Organic Letters, 3(10), 1523-1526 (2001)
Eagleson M.
Concise Encyclopedia Chemistry, 56-56 (1994)
Dynamics of ultrafast intramolecular charge transfer with 4-(dimethylamino) benzonitrile in acetonitrile.
Druzhinin SI, et al.
The Journal of Physical Chemistry A, 110(9), 2955-2969 (2006)

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