Butyronitrile
Butyronitrile or butanenitrile or propyl cyanide, is a nitrile with the formula C3H7CN. This colorless liquid is miscible with most polar organic solvents.
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| Names | |||
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| Preferred IUPAC name
Butanenitrile | |||
Other names
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| Identifiers | |||
3D model (JSmol) |
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| 1361452 | |||
| ChEBI | |||
| ChemSpider | |||
| ECHA InfoCard | 100.003.365 | ||
| EC Number |
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| MeSH | N-butyronitrile | ||
PubChem CID |
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| RTECS number |
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| UNII | |||
| UN number | 2411 | ||
CompTox Dashboard (EPA) |
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SMILES
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| Properties | |||
| C4H7N | |||
| Molar mass | 69.107 g·mol−1 | ||
| Appearance | Colorless | ||
| Odor | Sharp and suffocating | ||
| Density | 794 mg mL−1 | ||
| Melting point | −111.90 °C; −169.42 °F; 161.25 K | ||
| Boiling point | 117.6 °C; 243.6 °F; 390.7 K | ||
| 0.033 g/100 mL | |||
| Solubility | soluble in benzene miscible in alcohol, ether, dimethylformamide | ||
| Vapor pressure | 3.1 kPa | ||
Henry's law constant (kH) |
190 μmol Pa−1 kg−1 | ||
Magnetic susceptibility (χ) |
-49.4·10−6 cm3/mol | ||
Refractive index (nD) |
1.38385 | ||
| 3.5 | |||
| Thermochemistry | |||
Heat capacity (C) |
134.2 J K−1 mol−1 | ||
Std enthalpy of formation (ΔfH⦵298) |
−6.8–−4.8 kJ mol−1 | ||
Std enthalpy of combustion (ΔcH⦵298) |
−2.579 MJ mol−1 | ||
| Hazards | |||
| GHS labelling: | |||
| Danger | |||
| H225, H301, H311, H331 | |||
| P210, P261, P280, P301+P310, P311 | |||
| NFPA 704 (fire diamond) |
3
3
0 | ||
| Flash point | 18 °C (64 °F; 291 K) | ||
| 488 °C (910 °F; 761 K) | |||
| Explosive limits | 1.65%–? | ||
| Lethal dose or concentration (LD, LC): | |||
LD50 (median dose) |
50 mg kg−1 (oral, rat) | ||
| NIOSH (US health exposure limits): | |||
PEL (Permissible) |
none | ||
REL (Recommended) |
TWA 8 ppm (22 mg/m3) | ||
IDLH (Immediate danger) |
N.D. | ||
| Related compounds | |||
Related alkanenitriles |
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Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references | |||
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