Butyronitrile

Title: Butyronitrile
CAS Registry Number: 109-74-0
CAS Name: Butanenitrile
Additional Names: propyl cyanide; butyric acid nitrile
Molecular Formula: C4H7N
Molecular Weight: 69.11
Percent Composition: C 69.52%, H 10.21%, N 20.27%
Line Formula: CH3CH2CH2CN
Literature References: Prepd from 1-butanol by controlled cyanation with NH3 at 300° in the presence of Ni-Al2O3 catalysts: Popov, Shuikin, Izv. Akad. Nauk SSSR Otd. Khim. Nauk 1958, 713-718, C.A. 52, 19924 (1958). Toxicity: H. F. Smyth et al., Am. Ind. Hyg. Assoc. J. 23, 95 (1962).
Properties: Liquid. d40 0.8091; d415 0.7954; d430 0.7817. mp -112°. bp760 117.5°; bp400 96.8°; bp200 76.7°; bp100 59.0°; bp60 47.3°; bp40 38.4°; bp20 25.7°; bp10 13.4°; bp5 2.1°; bp1.0 -20.0°. nD20 1.38385. Flash pt, open cup: 85°F (29°C). Viscosity (h ´ 105) at 15° = 624; at 30° = 515. Dipole moment 3.5. Sparingly sol in water. Misc with alcohol, ether, dimethylformamide. LD50 orally in rats: 0.14 g/kg (Smyth).
Melting point: mp -112°
Boiling point: bp760 117.5°; bp400 96.8°; bp200 76.7°; bp100 59.0°; bp60 47.3°; bp40 38.4°; bp20 25.7°; bp10 13.4°; bp5 2.1°; bp1.0 -20.0°
Flash point: Flash pt, open cup: 85°F (29°C)
Index of refraction: nD20 1.38385
Density: d40 0.8091; d415 0.7954; d430 0.7817
Toxicity data: LD50 orally in rats: 0.14 g/kg (Smyth)
CAUTION: Potential symptoms of overexposure are irritation of eyes, skin, respiratory system; headache, dizziness, weakness, giddiness, confusion, convulsions; dyspnea; abdominal pain, nausea, vomiting. See NIOSH Pocket Guide to Chemical Hazards (DHHS/NIOSH 97-140, 1997) p 44.
Buzepide Cabenegrins Cabergoline Cacao Shell Cacodylic Acid

Butyronitrile[1]
Skeletal formula of butyronitrile
Identifiers
CAS number 109-74-0 YesY
PubChem 8008
ChemSpider 7717 N
EC number 203-700-6
UN number 2411
MeSH N-butyronitrile
ChEBI CHEBI:51937 N
RTECS number ET8750000
Beilstein Reference 1361452
Jmol-3D images Image 1
Properties
Molecular formula C4H7N
Molar mass 69.11 g mol−1
Appearance Colourless
Density 794 mg mL−1
Melting point −111.90 °C; −169.42 °F; 161.25 K
Boiling point 117 to 119 °C; 242 to 246 °F; 390 to 392 K
Solubility in water 0.033 g/100 mL
Solubility soluble in benzene
miscible in alcohol, ether, dimethylformamide
Vapor pressure 3.1 Pa
kH 190 μmol Pa−1 kg−1
Refractive index (nD) 1.38385
Dipole moment 3.5
Thermochemistry
Specific
heat capacity C
134.2 J K−1 mol−1
Std enthalpy of
formation ΔfHo298
−6.8–−4.8 kJ mol−1
Std enthalpy of
combustion ΔcHo298
−2.579 MJ mol−1
Hazards
GHS pictograms The flame pictogram in the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) The skull-and-crossbones pictogram in the Globally Harmonized System of Classification and Labelling of Chemicals (GHS)
GHS signal word DANGER
GHS hazard statements H225, H301, H311, H331
GHS precautionary statements P210, P261, P280, P301+310, P311
EU Index 608-005-00-5
EU classification Flammable F Toxic T
R-phrases R11, R23/24/25
S-phrases (S1/2), S16, S36/37, S45, S63
NFPA 704
NFPA 704.svg
3
3
0
Flash point 18 °C; 64 °F; 291 K
Autoignition temperature 488 °C; 910 °F; 761 K
Explosive limits 1.65–?%
LD50 50 mg kg−1 (oral, rat)
Related compounds
Related alkanenitriles
  • Propanenitrile
  • Aminopropionitrile
  • Malononitrile
  • Pivalonitrile
  • Acetone cyanohydrin
  • Succinonitrile
  • Tetramethylsuccinonitrile
  • Glutaronitrile
Related compounds DBNPA
 N (verify) (what is: YesY/N?)
Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
Infobox references

Butyronitrile or butanenitrile or propyl cyanide, is a nitrile with the formula C3H7CN. This colorless liquid is miscible with most polar organic solvents.