4-Oxo-4H-chromene-3-carbaldehyde supplier

Name
CHROMONE-3-CARBOXALDEHYDE
EINECS 241-451-5
CAS No. 17422-74-1
Article Data87
CAS DataBase
Density 1.431 g/cm³
Solubility
Melting Point 151-153 °C(lit.)
Formula C₁₀H₆O₃
Boiling Point 303.1 °C at 760 mmHg
Molecular Weight 174.156
Flash Point 134.7 °C
Transport Information
Appearance orange crystalline powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Formyl-4H-1-benzopyran-4-one;3-Formylchromone;4-Oxo-1-benzopyran-3-carboxaldehyde;4-Oxo-4H-1-benzopyran-3-carboxaldehyde;4-Oxo-4H-benzopyran-3-carboxaldehyde;4-Oxo-4H-chromene-3-carboxaldehyde;Chromon-3-carboxaldehyde;Chromone-3-aldehyde;Chromone-3-carboxaldehyde;NSC 291317;
PSA 47.28000
LogP 1.60550

4-Oxo-4H-chromene-3-carbaldehyde Specification

The 4H-1-Benzopyran-3-carboxaldehyde,4-oxo-, with the CAS registry number 17422-74-1 and EINECS registry number 241-451-5, has the systematic name of 4-oxo-4H-chromene-3-carbaldehyde. It is a kind of air sensitive chemical, and belongs to the product category of Chromones. And the molecular formula of the chemical is C₁₀H₆O₃. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes. Besides, it should be stored in the refrigerator.

The characteristics of 4H-1-Benzopyran-3-carboxaldehyde,4-oxo- are as followings: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.68; (6)ACD/BCF (pH 7.4): 2.68; (7)ACD/KOC (pH 5.5): 70.44; (8)ACD/KOC (pH 7.4): 70.44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.37×Å²; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 46.37 cm³; (15)Molar Volume: 121.6 cm³; (16)Polarizability: 18.38 10^-24cm³; (17)Surface Tension: 69.1 dyne/cm; (18)Density: 1.431 g/cm³; (19)Flash Point: 134.7 °C; (20)Enthalpy of Vaporization: 54.34 kJ/mol; (21)Boiling Point: 303.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000951 mmHg at 25°C.

Uses of 4H-1-Benzopyran-3-carboxaldehyde,4-oxo-: It can react with piperidine to produce 2-b-Piperidinoacrylylphenol. This reaction will need menstruum ethanol. The reaction time is 3 hours with heating, and the yield is about 55%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C\1c2c(O/C=C/1C=O)cccc2
(2)InChI: InChI=1/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H
(3)InChIKey: FSMYWBQIMDSGQP-UHFFFAOYAJ

Product Name

CHROMONE-3-CARBOXALDEHYDE

4-Oxo-4H-chromene-3-carbaldehyde Specification

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