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126769-01-5

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Basic Information
CAS No.: 126769-01-5
Name: 3-(2-FUROYL)QUINOLINE-2-CARBOXALDEHYDE
Molecular Structure:
Molecular Structure of 126769-01-5 (3-(2-FUROYL)QUINOLINE-2-CARBOXALDEHYDE)
Formula: C15H9NO3
Molecular Weight: 251.241
Synonyms: 3-(2-Furoyl)quinoline-2-carboxyaldehyde;ATTO-TAG FQ;
Density: 1.326 g/cm3
Boiling Point: 491.7 °C at 760 mmHg
Flash Point: 251.2 °C
Solubility: methanol: soluble
Hazard Symbols: IrritantXi, HarmfulXn
Risk Codes: 36/37/38-22
Safety: 26
PSA: 60.17000
LogP: 2.87130
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Specification

The 2-Quinolinecarboxaldehyde,3-(2-furanylcarbonyl)- is an organic compound with the formula C15H9NO3. The IUPAC name of this chemical is 3-(Furan-2-carbonyl)quinoline-2-carbaldehyde. With the CAS registry number 126769-01-5, it is also named as 3-(2-Furoyl)quinoline-2-carbaldehyde. The categories of the product are Fluorescent Labeling of Amines; Fluorescence; Protein Modification. Besides, it should be stored at 2-8 °C.

The physical properties of 2-Quinolinecarboxaldehyde,3-(2-furanylcarbonyl)- are: (1)ACD/LogP: 1.71; (2)ACD/LogD (pH 5.5): 1.71; (3)ACD/LogD (pH 7.4): 1.71; (4)ACD/BCF (pH 5.5): 11.8; (5)ACD/BCF (pH 7.4): 11.8; (6)ACD/KOC (pH 5.5): 203.6; (7)ACD/KOC (pH 7.4): 203.63; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 60.17 Å2; (11)Index of Refraction: 1.673; (12)Molar Refractivity: 71.03 cm3; (13)Molar Volume: 189.3 cm3; (14)Polarizability: 28.15×10-24 cm3; (15)Surface Tension: 58.6 dyne/cm; (16)Density: 1.326 g/cm3; (17)Flash Point: 251.2 °C; (18)Enthalpy of Vaporization: 75.85 kJ/mol; (19)Boiling Point: 491.7 °C at 760 mmHg; (20)Vapour Pressure: 8.2E-10 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(nc2c(c1)cccc2)C=O)c3occc3
(2)InChI: InChI=1/C15H9NO3/c17-9-13-11(15(18)14-6-3-7-19-14)8-10-4-1-2-5-12(10)16-13/h1-9H
(3)InChIKey: PNCHURHVMDRFTR-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C15H9NO3/c17-9-13-11(15(18)14-6-3-7-19-14)8-10-4-1-2-5-12(10)16-13/h1-9H
(5)Std. InChIKey: PNCHURHVMDRFTR-UHFFFAOYSA-N