CAS No.42059-78-9,6-ETHYL-3-FORMYLCHROMONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	42059-78-9
Name:	6-ETHYL-3-FORMYLCHROMONE
Article Data:	5

Formula:	C₁₂H₁₀O₃
Molecular Weight:	202.21
Synonyms:	6-Ethyl-3-formylchromone;
Density:	1.308 g/cm³
Melting Point:	108-110 °C(lit.)
Boiling Point:	343.3 °C at 760 mmHg
Flash Point:	153.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	47.28000
LogP:	2.16790

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- China (Mainland)(12)
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Specification

The 4H-1-Benzopyran-3-carboxaldehyde,6-ethyl-4-oxo-, with the CAS registry number of 42059-78-9, is also known as 6-Ethyl-3-formylchromone. It belongs to the product category of Heterocyclic Compounds. Its molecular formula is C₁₂H₁₀O₃ and molecular weight is 202.21. What's more, its systematic name is 6-Ethyl-4-oxo-4H-chromene-3-carbaldehyde. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 4H-1-Benzopyran-3-carboxaldehyde,6-ethyl-4-oxo- are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 15.18; (6)ACD/BCF (pH 7.4): 15.18; (7)ACD/KOC (pH 5.5): 243.88; (8)ACD/KOC (pH 7.4): 243.88; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 55.92 cm³; (15)Molar Volume: 154.4 cm³; (16)Surface Tension: 59.5 dyne/cm; (17)Density: 1.308 g/cm³; (18)Flash Point: 153.3 °C; (19)Enthalpy of Vaporization: 58.72 kJ/mol; (20)Boiling Point: 343.3 °C at 760 mmHg; (21)Vapour Pressure: 7.1E-05 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-(5-Ethyl-2-hydroxy-benzoyl)-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile. This reaction needs solvent Ethane-1,2-diol. The reaction time is 5 min with reaction temperature of 200 - 210 °C. The yield is about 65 %.

The 4H-1-Benzopyran-3-carboxaldehyde,6-ethyl-4-oxo- can react with (1H-Benzoimidazol-2-yl)-acetonitrile to get 2-(5-Ethyl-2-hydroxy-benzoyl)-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1c2c(O/C=C/1C=O)ccc(c2)CC
(2) InChI: InChI=1/C12H10O3/c1-2-8-3-4-11-10(5-8)12(14)9(6-13)7-15-11/h3-7H,2H2,1H3
(3) InChIKey: XCKTXKYXKJJGBA-UHFFFAOYAE