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CAS No.: | 55804-65-4 |
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Name: | Coumarin 343 |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C16H15NO4 |
Molecular Weight: | 285.299 |
Synonyms: | C 343;Coumarin 343;Coumarin 519;Coumarine 343; |
EINECS: | 259-824-6 |
Density: | 1.47 g/cm3 |
Melting Point: | 240 °C(lit.) |
Boiling Point: | 574.8 °C at 760 mmHg |
Flash Point: | 301.4 °C |
Appearance: | orange crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | 36/37/38-20/21/22 |
Safety: | 37/39-26 |
PSA: | 70.75000 |
LogP: | 2.25500 |
The CAS register number of Coumarin 343 is 55804-65-4. It also can be called as 2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid and the systematic name about this chemical is 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylic acid. The molecular formula about this chemical is C16H15NO4 and molecular weight is 285.29. It belongs to the following product categories which include C; Stains and Dyes; Stains&Dyes, A to and so on.
Physical properties about Coumarin 343 are: (1)ACD/LogP: 3.21; (2)ACD/LogD (pH 5.5): 0.65; (3)ACD/LogD (pH 7.4): -0.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.72; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 55.84Å2; (12)Index of Refraction: 1.691; (13)Molar Refractivity: 73.97 cm3; (14)Molar Volume: 193.2 cm3; (15)Polarizability: 29.32x10-24cm3; (16)Surface Tension: 73.9 dyne/cm; (17)Enthalpy of Vaporization: 90.58 kJ/mol; (18)Boiling Point: 574.8 °C at 760 mmHg; (19)Vapour Pressure: 4.74E-14 mmHg at 25°C.
Uses of Coumarin 343: it can be used to produce coumarin 343 acid chloride at heating. This reaction will need reagent oxalyl chloride and solvent CH2Cl2, dimethylformamide. The yield is about 77%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. 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(O)C\1=C\c2c(OC/1=O)c4c3c(c2)CCCN3CCC4
(2)InChI: InChI=1/C16H15NO4/c18-15(19)12-8-10-7-9-3-1-5-17-6-2-4-11(13(9)17)14(10)21-16(12)20/h7-8H,1-6H2,(H,18,19)
(3)InChIKey: KCDCNGXPPGQERR-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C16H15NO4/c18-15(19)12-8-10-7-9-3-1-5-17-6-2-4-11(13(9)17)14(10)21-16(12)20/h7-8H,1-6H2,(H,18,19)
(5)Std. InChIKey: KCDCNGXPPGQERR-UHFFFAOYSA-N