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Key Documents

8.07068

Sigma-Aldrich

Propionitrile

for synthesis

Synonym(s):

Propionitrile, Ethyl cyanide

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About This Item

Empirical Formula (Hill Notation):
C3H5N
CAS Number:
107-12-0
Molecular Weight:
55.08
MDL number:
MFCD00001948
UNSPSC Code:
12352117
EC Index Number:
203-464-4
NACRES:
NA.22

vapor pressure

50 hPa ( 20 °C)

Quality Level

200

Assay

≥99.0% (GC)

form

liquid

autoignition temp.

515 °C

potency

39 mg/kg LD50, oral (Rat)
40-56 mg/kg LD50, skin (Rabbit)

expl. lim.

3.1-14 % (v/v)

pH

10 (20 °C, 50 g/L in H2O)

bp

97 °C/1013 hPa

mp

-92 °C

transition temp

flash point 12 °C

density

0.782 g/cm3 at 20 °C

storage temp.

2-30°C

InChI

1S/C3H5N/c1-2-3-4/h2H2,1H3

InChI key

FVSKHRXBFJPNKK-UHFFFAOYSA-N

Application

  • Fructose-Based Surfactant Synthesis: Propionitrile is utilized in the synthesis of fructose-based surfactants, offering environmentally friendly solutions in the detergent industry and showcasing its potential in green chemistry applications (Lin et al., 2024).
  • Water Filtration System Application: The application of propionitrile derivatives in water filtration systems, specifically for manganese removal, demonstrates its role in enhancing water purification technologies, contributing significantly to environmental management (Basirun et al., 2023).
  • Supercapacitor Development: Propionitrile is a key component in the development of safe and high-performance supercapacitors, using nonflammable electrolytes to improve energy storage systems, which is crucial for advancing renewable energy technologies (Van T Nguyen et al., 2023).
  • Electro-photochemical Reactivity in Organic Synthesis: Propionitrile is involved in catalyst-free electro-photochemical processes, facilitating the synthesis of complex organic compounds like oxazoles and pyrroles, which are essential for pharmaceutical and materials science research (Maiti et al., 2023).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.781 - 0.783
Identity (IR): passes test

Pictograms

FlameSkull and crossbones
GHS02,GHS06

Signal Word

Danger

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

42.8 °F - closed cup

Flash Point(C)

6 °C - closed cup

Certificates of Analysis (COA)

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