acrylonitrile

CAS No. 107-13-1

Formula: C3H3N
Basic Info

Acrylonitrile is an organic compound with the formula CH2CHCN. It is a colorless volatile liquid, although commercial samples can be yellow due to impurities. In terms of its molecular structure, it consists of a vinyl group linked to a nitrile. It is an important monomer for the manufacture of useful plastics such as polyacrylonitrile. It is reactive and toxic at low doses.

Formula
C3H3N
Molecular Weight
53.0626
Exact Mass
53.0265
LogP
0.69598
PSA
23.79
Synonyms

2-propenenitrile

Isopropenylamin

1-Propen-2-amine

cyanoethene

Acrylonitrile

propenamine-2

1-Methylethenylamine

acrylo-nitrile

prop-2-enenitrile

2-propenamine

propenenitrile

vinyl cyanide

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Properties
Appearance & Physical State
clear liquid
Density
0.8075
Boiling Point
77ºC
Melting Point
-83ºC
Flash Point
-5ºC
Refractive Index
1.391
Water Solubility
Soluble. 7.45 g/100 mL
Stability
Stable under normal shipping and handling conditions. However, it may undergo explosive polymerization if uninhibited. The substance polymerizes due to heating, under the influence of light, bases and peroxides. Heating may cause violent combustion or expl
Storage Condition
2-8ºC
Vapor Density
1.83 (vs air)
Vapor Pressure
86 mm Hg ( 20 °C)
Safety Info
RTECS
AT5250000
Safety Statements
S53-S9-S16-S45-S61
WGK Germany
3
Risk Statements
R11; R23/24/25; R37/38; R41; R43; R45; R51/53
HS Code
2926100000
RIDADR
UN 1093
Hazard Class
3
Packing Group
I
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass
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Raman Spectrum Raman : 4880 A,100M,liquid
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
BPX-5
Retention index
540.
Temperature Control
30.
Method
isothermal
Comments
12. m/0.15 mm/0.25 μm, H2
Reference
Aflalaye, A.Sternberg, R.Raulin, F.Vidal-Madjar, C.Gas chromatography of Titan's atmosphere. VI. Analysis of low-molecular-mass hydrocarbons and nitriles with BPX5 capillary columnsJ. Chromatogr. A1995, 708, 2, 283-291.
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
BPX-5
Retention index
544.
Temperature Control
30.
Method
isothermal
Comments
12. m/0.15 mm/0.25 μm, H2
Reference
Aflalaye, A.Sternberg, R.Raulin, F.Vidal-Madjar, C.Gas chromatography of Titan's atmosphere. VI. Analysis of low-molecular-mass hydrocarbons and nitriles with BPX5 capillary columnsJ. Chromatogr. A1995, 708, 2, 283-291.
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
CP Sil 5 CB
Retention index
496.4
Temperature Control
20.
Method
isothermal
Comments
25. m/0.15 mm/2. μm, H2
Reference
Do, L.Raulin, F.Gas chromatography of Titan's atmosphere. III. Analysis of low-molecular-weight hydrocarbons and nitriles with a CP-Sil-5 CB WCOT capillary columnJ. Chromatogr.1992, 591, 1-2, 297-301.
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
PoraPLOT Q
Retention index
476.
Temperature Control
100.
Method
isothermal
Comments
10. m/0.32 mm/10. μm, H2
Reference
Do, L.Raulin, F.Gas chromatography of Titan's atmosphere. I. Analysis of low-molecular-weight hydrocarbons and nitriles with a PoraPLOT Q porous polymer coated open-tubular capillary columnJ. Chromatogr.1989, 481, 45-54.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
PoraPLOT Q
Retention index
482.
Temperature Control
160.
Method
isothermal
Comments
10. m/0.32 mm/10. μm, H2
Reference
Do, L.Raulin, F.Gas chromatography of Titan's atmosphere. I. Analysis of low-molecular-weight hydrocarbons and nitriles with a PoraPLOT Q porous polymer coated open-tubular capillary columnJ. Chromatogr.1989, 481, 45-54.

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