Benzonitrile , CP,98.5% , 100-47-0
Synonym(s):
Benzonitrile;Phenyl cyanide
CAS NO.：100-47-0
Empirical Formula: C7H5N
Molecular Weight: 103.12
MDL number: MFCD00001770
EINECS: 202-855-7
PRODUCT Properties
| Melting point: | -13 °C (lit.) |
| Boiling point: | 191 °C (lit.) |
| Density | 1.01 |
| vapor density | 3.6 (vs air) |
| vapor pressure | 1 hPa at 20 °C |
| refractive index | n |
| Flash point: | 161 °F |
| storage temp. | Store below +30°C. |
| solubility | Insoluble in cold water. 1% soluble in boiling water. Miscible with alcohol and oils, but not soluble in liquid paratlirt. Poorly soluble in Propylene glycol. |
| form | Liquid |
| color | Clear colorless to slightly yellow |
| Relative polarity | 0.333 |
| Odor | Almond-like. |
| explosive limit | 1.4-7.2%(V) |
| Water Solubility | 10 g/L (100 ºC) |
| λmax | λ: 300 nm Amax: 1.0 λ: 310 nm Amax: 0.40 λ: 335 nm Amax: 0.03 λ: 360-400 nm Amax: 0.01 |
| Merck | 14,1097 |
| BRN | 506893 |
| Exposure limits | NIOSH: IDLH 14 ppm(25 mg/m3) |
| Dielectric constant | 26.0（20℃） |
| Stability: | Stable. Incompatible with strong bases, strong acids, strong oxidizing agents, strong reducing agents. Air-sensitive. Combustible. |
| InChIKey | JFDZBHWFFUWGJE-UHFFFAOYSA-N |
| LogP | 1.5 at 20℃ |
| Surface tension | 38.33mN/m at 298.15K |
| CAS DataBase Reference | 100-47-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzonitrile(100-47-0) |
| EPA Substance Registry System | Benzonitrile (100-47-0) |
Description and Uses
Benzonitrile is a colorless, oily liquid. It hasan almond odor. Molecular weight = 103.13. Boilingpoint = 191℃; Freezing/Melting point = - 13℃; Criticaltemperature= 426℃; Critical pressure = 611 psia; Specificgravity (H2O:1) = 1.01 at 25℃; Relative vapor density(air=1) =3.6; Electrical conductivity =2 3 106 pS/m;Ratio of specific heats of vapor (gas) = 1.091; Latentheat of vaporization = 3.67 3 105 J/kg; Heat ofcombustion =-351 3 105 J/kg. Explosive limits in air:Lower= 1.4%, Upper = 7.2%; Flash point = 71℃;Autoignition temperature = 550℃. Hazard Identification(based on NFPA-704 M Rating System): Health 2,Flammability 1, Reactivity 0. Poor solubility in water.
The most important commercial use for benzonitrile is the synthesis of benzoguanamine, which is a derivative of melamine and is used in protective coatings and molding resins. It is used intermediate for rubber chemicals; solvent for nitrile rubber, specialty lacquers, and many resins and polymers, and for many anhydrous metallic salts.
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302+H312 |
| Precautionary statements | P264-P270-P280-P301+P312-P302+P352+P312-P362+P364 |
| Hazard Codes | Xn |
| Risk Statements | 21/22-38 |
| Safety Statements | 23 |
| RIDADR | UN 2224 6.1/PG 2 |
| WGK Germany | 2 |
| RTECS | DI2450000 |
| Autoignition Temperature | 550 °C |
| TSCA | Yes |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29269090 |
| Hazardous Substances Data | 100-47-0(Hazardous Substances Data) |
| Toxicity | LDLo orl-rat: 720 mg/kg AMRL** TR-74-78,74 |
| IDLA | 14 ppm (66 mg/m3) |
