Name | benzoylacetonitrile |
Synonyms | AKOS 92208 AKOS BB-9543 AKOS B029579 benzoylacetonitrile BENZOYLACETONITRILE ALPHA-CYANOACETOPHENONE BETA-OXOHYDROCINNAMONITRILE 3-OXO-3-PHENYL-PROPIONITRILE 3-OXO-3-PHENYLPROPANENITRILE 3-oxo-3-phenylpropanenitrile |
CAS | 614-16-4 |
EINECS | 210-369-1 |
InChI | InChI=1/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2 |
InChIKey | ZJRCIQAMTAINCB-UHFFFAOYSA-N |
Molecular Formula | C9H7NO |
Molar Mass | 145.16 |
Density | 1.1555 (rough estimate) |
Melting Point | 82-83 °C (lit.) |
Boling Point | 160 °C/10 mmHg (lit.) |
Flash Point | 159-160°C/10mm |
Water Solubility | slightly soluble |
Solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
Vapor Presure | 0.00105mmHg at 25°C |
Appearance | Bright yellow powder |
Color | Yellow to Dark Beige |
Exposure Limit | NIOSH: IDLH 25 mg/m3 |
BRN | 386745 |
pKa | 7.78±0.10(Predicted) |
Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
Refractive Index | 1.4500 (estimate) |
MDL | MFCD00001942 |
Physical and Chemical Properties | The melting point of benzoylacetonitrile is 82-83°C(lit.), the boiling point is 160°C/10mmHg(lit.), the density was 1.1555(rough prism), the refractive index was 1.4500 (PRISM), the flash point was 159-160°C/10mm, and the acidity coefficient (pKa) was 7.78±0.10(Predicted). Benzoylacetonitrile is soluble in ethyl acetate and methylene chloride, insoluble in water and methanol. |
Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S22 - Do not breathe dust. |
UN IDs | 3276 |
WGK Germany | 3 |
TSCA | Yes |
HS Code | 29269090 |
Hazard Note | Harmful/Irritant |
Hazard Class | IRRITANT |
Packing Group | III |