3-Oxo-2-phenylpropionitrile supplier

Name
2-Cyano-2-phenylvinylalcohol
EINECS
CAS No. 5841-70-3
Article Data20
CAS DataBase
Density 1.114 g/cm³
Solubility
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
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols
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-;
PSA 40.86000
LogP 1.49268

3-Oxo-2-phenylpropionitrile Specification

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

Product Name

2-Cyano-2-phenylvinylalcohol

3-Oxo-2-phenylpropionitrile Specification

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