Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

4H-1-Benzopyran-3-carbonitrile,4-oxo-

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

4H-1-Benzopyran-3-carbonitrile,4-oxo-

EINECS N/A
CAS No. 50743-17-4 Density 1.34 g/cm3
PSA 54.00000 LogP 1.66468
Solubility N/A Melting Point 174-176 °C(lit.)
Formula C10H5NO2 Boiling Point 278.3 °C at 760 mmHg
Molecular Weight 171.155 Flash Point 119.5 °C
Transport Information UN 3276 Appearance light yellow crystalline powder
Safety 36/37/39-26 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 50743-17-4 (3-CYANOCHROMONE) Hazard Symbols IrritantXi;HarmfulXn
Synonyms

3-Cyanochromone;4-Oxo-4H-1-benzopyran-3-carbonitrile;4-Oxo-4H-benzopyran-3-carbonitrile;4-Oxo-4H-chromene-3-carbonitrile;4-oxochromene-3-carbonitrile;4H-1-benzopyran-3-carbonitrile, 4-oxo-;Chromone-3-carbonitrile;

 

4H-1-Benzopyran-3-carbonitrile,4-oxo- Specification

The 4H-1-Benzopyran-3-carbonitrile,4-oxo-, with the CAS registry number 50743-17-4, has the systematic name of 4-oxo-4H-chromene-3-carbonitrile. It is a kind of light yellow crystalline powder, and belongs to the product category of Chromones. And the molecular formula of the chemical is C10H5NO2.

The characteristics of 4H-1-Benzopyran-3-carbonitrile,4-oxo- are as followings: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.79; (6)ACD/BCF (pH 7.4): 3.79; (7)ACD/KOC (pH 5.5): 90.37; (8)ACD/KOC (pH 7.4): 90.37; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 50.09 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 44.7 cm3; (15)Molar Volume: 127 cm3; (16)Polarizability: 17.72×10-24cm3; (17)Surface Tension: 58.4 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 119.5 °C; (20)Enthalpy of Vaporization: 51.69 kJ/mol; (21)Boiling Point: 278.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0043 mmHg at 25°C. 

Uses of 4H-1-Benzopyran-3-carbonitrile,4-oxo-: It can react with propylamine to produce 2-amino-4-oxo-4H-chromene-3-carbaldehyde. This reaction will need menstruum ethanol. The reaction time is 4 hours with heating, and the yield is about 75%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1c2c(O/C=C1/C#N)cccc2
(2)InChI: InChI=1/C10H5NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,6H
(3)InChIKey: SFWNPLLGXKJESA-UHFFFAOYAC

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 50743-17-4