Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Oxo-2-phenylpropionitrile |
EINECS | N/A |
CAS No. | 5841-70-3 | Density | 1.114 g/cm3 |
PSA | 40.86000 | LogP | 1.49268 |
Solubility | N/A | Melting Point |
157-160 ºC |
Formula | C9H7NO | Boiling Point | 242.7 ºC at 760 mmHg |
Molecular Weight | 145.161 | Flash Point | 100.6 ºC |
Transport Information | UN 3439 | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetaldehyde,cyanophenyl- (6CI,7CI);Malonaldehydonitrile, phenyl- (8CI);(Formyl)(phenyl)acetonitrile;2-Formyl-2-phenylacetonitrile;3-Oxo-2-phenylpropanenitrile;Cyano(phenyl)acetaldehyde;NSC 403771;Phenylcyanoacetaldehyde;Phenylcyanoethanal;a-Cyanophenylacetaldehyde;a-Formylbenzeneacetonitrile;a-Formylphenylacetonitrile;Benzeneacetonitrile, α-formyl-; |
Article Data | 20 |
The 2-Cyaon-2-phenylvinylalcohol, with the CAS registry number 5841-70-3, is also known as 2-Cyaon-2-phenylacetaldehyde. It belongs to the product category of Benzeneseries. This chemical's molecular formula is C9H7NO and molecular weight is 145.16. What's more, its IUPAC name is called 3-oxo-2-phenylpropanenitrile.
Physical properties of 2-Cyaon-2-phenylvinylalcoholare: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 40.86 Å2; (7)Index of Refraction: 1.535; (8)Molar Refractivity: 40.53 cm3; (9)Molar Volume: 130.2 cm3; (10)Surface Tension: 46.2 dyne/cm; (11)Density: 1.114 g/cm3; (12)Flash Point: 100.6 °C; (13)Enthalpy of Vaporization: 47.97 kJ/mol; (14)Boiling Point: 242.7 °C at 760 mmHg; (15)Vapour Pressure: 0.0335 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Besides, you should wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC=C(C=C1)C(C=O)C#N
(2)InChI: InChI=1S/C9H7NO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,7,9H
(3)InChIKey: MGDKAIHGKFPFTO-UHFFFAOYSA-N