CAS No.5841-70-3,2-Cyano-2-phenylvinylalcohol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5841-70-3
Name:	2-Cyano-2-phenylvinylalcohol
Article Data:	20

Formula:	C₉H₇NO
Molecular Weight:	145.161
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-;
Density:	1.114 g/cm³
Melting Point:	157-160 ºC
Boiling Point:	242.7 ºC at 760 mmHg
Flash Point:	100.6 ºC
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
Transport Information:	UN 3439
PSA:	40.86000
LogP:	1.49268

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- United States(1)
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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