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| CAS No.: | 55804-68-7 |
|---|---|
| Name: | Coumarin 337 |
| Molecular Structure: | |
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|
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| Formula: | C16H14N2O2 |
| Molecular Weight: | 266.299 |
| Synonyms: | 10-Cyano-1,2,5,6-tetrahydro-3H,7H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one;Coumarin 337;Coumarin 523;NSC 338968; |
| EINECS: | 259-827-2 |
| Density: | 1.38 g/cm3 |
| Melting Point: | 250 °C (dec.)(lit.) |
| Boiling Point: | 544.5 °C at 760 mmHg |
| Flash Point: | 283.1 °C |
| Appearance: | orange needle-like crystals |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 37/39-26 |
| PSA: | 57.24000 |
| LogP: | 2.42848 |
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- Total:19 Page 1 of 1 1
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Specification
The Coumarin 337 is an organic compound with the formula C16H14N2O2. The systematic name of this chemical is 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbonitrile. With the CAS registry number 55804-68-7, it is also named as 2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-(1)benzopyrano(6,7,8-ij)quinolizine-10-carbonitrile. The product's categories are C; Stains and Dyes; Stains & Dyes, A to. Besides, it should be stored in a closed cool adn dry place.
Physical properties about Coumarin 337 are: (1)ACD/LogP: 3.12; (2)ACD/LogD (pH 5.5): 2.96; (3)ACD/LogD (pH 7.4): 3.11; (4)ACD/BCF (pH 5.5): 95.47; (5)ACD/BCF (pH 7.4): 136.4; (6)ACD/KOC (pH 5.5): 820.51; (7)ACD/KOC (pH 7.4): 1172.28; (8)#H bond acceptors: 4; (9)Polar Surface Area: 53.33 Å2; (10)Index of Refraction: 1.674; (11)Molar Refractivity: 72.26 cm3; (12)Molar Volume: 192.5 cm3; (13)Polarizability: 28.64×10-24cm3; (14)Surface Tension: 68.4 dyne/cm; (15)Density: 1.38 g/cm3; (16)Flash Point: 283.1 °C; (17)Enthalpy of Vaporization: 82.32 kJ/mol; (18)Boiling Point: 544.5 °C at 760 mmHg; (19)Vapour Pressure: 6.46E-12 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C1=C\c2c(OC1=O)c4c3c(c2)CCCN3CCC4
(2)InChI: InChI=1/C16H14N2O2/c17-9-12-8-11-7-10-3-1-5-18-6-2-4-13(14(10)18)15(11)20-16(12)19/h7-8H,1-6H2
(3)InChIKey: LGDDFMCJIHJNMK-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C16H14N2O2/c17-9-12-8-11-7-10-3-1-5-18-6-2-4-13(14(10)18)15(11)20-16(12)19/h7-8H,1-6H2
(5)Std. InChIKey: LGDDFMCJIHJNMK-UHFFFAOYSA-N