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Acetonitrile (Reag. Ph. Eur.) for UHPLC Supergradient, ACS

Cyanomethane, Ethanenitrile, Methyl Cyanide

Minimum assay (G.C.): 99.9%
Code
221881
CAS
75-05-8
Molecular Formula
CH3CN
Molar mass
41.05 g/mol

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221881.1611
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221881.1611
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1000 ml
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221881.1612
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221881.1612
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2.5 l
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221881.16153
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221881.16153
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221881.0314
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221881.0515
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221881.0515
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221881.0316
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221881.0516
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221881.0537
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221881.0537
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221881.0519
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221881.0519
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221881.0519B
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221881.0519B
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molecule for: Acetonitrile (Reag. Ph. Eur.) for UHPLC Supergradient, ACS
Melting Point:
-48 °C
Boiling Point:
80 - 82 °C
Density:
0.781 kg/l
Refractive Index:
20/D 1.344
Physical Description:
liquid
Product Code:
221881
Product Name:
Acetonitrile (Reag. Ph. Eur.) for UHPLC Supergradient, ACS
Quality Name:
for UHPLC Supergradient, ACS
Specifications:
Minimum assay (G.C.): 99.9%
Identity: IR passes test
Density 20/4: 0.779-0.783
Suitability: for gradient acc. to ACS: passes test
Range of Distillation (>95% dist.): 80-82°C

Maximum limit of impurities
APHA colour: 10
Acidity: 0.0005 meq/g
Alkalinity: 0.0001 meq/g
Non-volatile matter: 0.0001 %
Base line drift (210 nm): 10 mUA
Water (H2O): 0.015 %
Gradient at 210 nm: 1 mUA
Gradient at 254 nm: 0.5 mUA
Fluorescence at 254 nm (as quinine): 1 ppb
Fluorescence at 365 nm (as quinine): 0.5 ppb
UV Spectrum (1cm cell; Ref.: water):
Transmittance at 190 (Cut off) nm: ≥30%
Transmittance at 193 nm: ≥60%
Transmittance at 195 nm: ≥80%
Transmittance at 200 nm: ≥90%
Transmittance at 230-400 nm: ≥98%
Data of interest in HPLC:
Rohrschneider Polarity: 5.8
Eluotropic value E° (Al2O3): 0.65
Sol. H2O in solv. at 20°C: miscible
Microfiltered product (0.2 μm) and bottled under nitrogen atmosphere.
Conforms to Acetonitrile for chromatography and Acetonitrile R1 according to Reag. Ph. Eur.
Hazard pictograms
  • GHS02 Hazard
  • GHS07 Hazard
UN:
1648
Class/PG:
3/II
ADR:
3/II
IMDG:
3/II
IATA:
3/II
WGK:
2
Storage:
Room Temperature.
Signal Word:
Danger
GHS Symbols:
GHS02
GHS07
H Phrases:
H225
H332
H312
H302
H319
P Phrases:
P210
P233
P240
P241
P242
P243
P261
P270
P271
P280
P301+P330+P331
P303+P361+P353
P304+P340
P305+P351+P338
P312
P322
P363
P370+P378
P501
P337+P313
Master Name:
Acetonitrile
Synonyms Long Text:
Cyanomethane, Ethanenitrile, Methyl Cyanide
EINECS:
200-835-2
CS:
2926 90 70
Index Nr.:
608-001-00-3
Download TDS file for complete specifications

Comments

About Acetonitrile

Occurrence
The emission lines of acetonitrile were detected by radio telescope in the nucleus of comet C/1973 E1 (Kohoutek) on December 1, 1973. Astronomers at ESO, with the help of the ALMA telescope, detected larger amounts of acetonitrile around the young star MWC 480 for the first time in April 2015.

Production
Possibilities for production are nucleophilic substitution reactions of e.g. bromomethane with sodium cyanide (NaCN). Industrially, acetonitrile is produced in relatively small quantities as a by-product in the manufacture of acrylonitrile. Price and availability are therefore linked to the production of polyacrylonitrile.

Properties
When heated to high temperatures and in the event of fire, acetonitrile gives off toxic gases such as hydrogen cyanide and nitrogen oxides. Explosive mixtures are formed with air. Acetonitrile attacks rubber and dissolves many polymers. When in contact with sulfuric acid under heat, explosive polymerization may occur. Acetonitrile forms with water an azeotropic mixture of 83.7 wt.% acetonitrile to 16.3 wt.% water and a boiling point of 76.5 °C, 5.5 K below the boiling point of pure acetonitrile.

Safety characteristics
Acetonitrile forms highly flammable vapor-air mixtures. The compound has a flash point at 2 °C. The explosion range is between 3.0% by volume (50 g/m3) as the lower explosion limit (LEL) and 17% by volume as the upper explosion limit (UEL). The limiting oxygen concentration is 12.7 vol% at 25 °C. The limiting gap width was determined to be 1.5 mm. This results in an assignment to explosion group IIA. The ignition temperature is 525 °C. The substance thus is assigned into temperature class T1. The electrical conductivity is rather low at 6-10-8 S-m-1.

Use
Acetonitrile is a common solvent in the laboratory, in chemical analysis (e.g. HPLC) and in technical chemistry, mainly for the extraction of 1,3-butadiene. Acetonitrile is used as a solvent for conducting salts in double-layer capacitors.

Acetonitrile-d3
Fully deuterated acetonitrile (acetonitrile-d3) - in which all three hydrogen atoms have been replaced by deuterium - is used as a solvent in NMR spectroscopy.

Safety information
Acetonitrile is an irritant. It is harmful by inhalation, ingestion and skin contact. Acetonitrile is absorbed through the skin (percutaneously) and acts as a blood poison in the body. Acetonitrile exhibits low toxicity at low doses. It is metabolized to hydrogen cyanide, which is the cause of the observed symptoms. Symptoms are usually delayed (between 2 and 12 hours) because it takes some time for the body to metabolize acetonitrile to cyanide. Cases of poisoning by inhalation, oral ingestion, or skin absorption in humans are rare but not unknown. Symptoms that do not appear until several hours after exposure include difficulty breathing, low pulse, nausea, and nausea. In serious cases, convulsions and coma may occur, followed by death from respiratory failure. Countermeasures are as for cyanide poisoning.