Acetonitrile
SIAL/900667 - for UHPLC, suitable for mass spectrometry (MS)
Synonym: ACN; Cyanomethane; Ethyl nitrile; Methyl cyanide
CAS Number: 75-05-8
Empirical Formula (Hill Notation): C2H3N
Molecular Weight: 41.05
EC Number: 200-835-2
MDL Number: MFCD00001878
Linear Formula: CH3CN
Product Type: Chemical
| application(s) | food and beverages |
| assay | ≥99.92% |
| autoignition temp. | 973 °F |
| bp | 81-82 °C (lit.) |
| density | 0.786 g/mL at 25 °C (lit.) |
| expl. lim. | 16 % |
| form | liquid |
| InChI | 1S/C2H3N/c1-2-3/h1H3 |
| InChI key | WEVYAHXRMPXWCK-UHFFFAOYSA |
| mp | −45 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CC#N |
| technique(s) | mass spectrometry (MS): suitable |
| vapor density | 1.41 (vs air) |
| vapor pressure | 72.8 mmHg ( 20 °C) |
| 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. |
| Application: | 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). |
| 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. |
| Packaging: | 1 L in glass bottle |
| Packaging: | 100, 250 mL in glass bottle |
| Symbol |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225 - H302 + H312 + H332 - H319 |
| Precautionary statements | P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338 |
| RIDADR | UN 1648 3 / PGII |
| WGK Germany | WGK 2 |
| Flash Point(F) | 35.6 °F - closed cup |
| Flash Point(C) | 2.0 °C - closed cup |
| Purity | ≥99.92% |
| bp | 81-82 °C (lit.) |
| mp | −45 °C (lit.) |
| Density | 0.786 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352200 |