-
Name
Coumarin 153
- EINECS 258-600-5
- CAS No. 53518-18-6
- Density 1.44 g/cm3
- Solubility
- Melting Point 164-168 °C(lit.)
- Formula C16H14F3NO2
- Boiling Point 447.3 °C at 760 mmHg
- Molecular Weight 309.288
- Flash Point 224.3 °C
- Transport Information
- Appearance yellow crystalline powder
- Safety 37/39-26
- Risk Codes 36/37/38-20/21/22
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Molecular Structure
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Hazard Symbols
Xn
- Synonyms C 153;C6F;Coumarin 153;Coumarin 495;Coumarin 540A;Coumarin 6F;K 153;NSC 338964;Pilot 495;2,3,5,6-1H,4H-Tetrahydro-8-trifluormethylquinolizino-(9,9a,1-gh)coumarin;1,2,4,5,3H,6H,10H-Tetrahydro-8-trifluoromethyl[1]benzopyrano[9,9a,1-gh]quinolizin-10-one;
- PSA 33.45000
- LogP 3.57560
Coumarin 153 Specification
The CAS register number of Coumarin 153 is 53518-18-6. It also can be called as 2,3,6,7-Tetrahydro-9-(trifluoromethyl)-1H,5H,11H-(1)benzopyrano(6,7,8-ij)quinolizin-11-one and the systematic name about this chemical is 9-(trifluoromethyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one. The molecular formula about this chemical is C16H14F3NO2 and molecular weight is 309.28. It belongs to the following product categories which include Electronic; Application CRMs; CRMs Spectroscopy FluorescenceBiochemicals and Reagents; Fluorescence Standards; Fluorescent Probes, Labels, Particles and Stains; Spectroscopy and so on.
Physical properties about Coumarin 153 are: (1)ACD/LogP: 4.53; (2)ACD/LogD (pH 5.5): 4.37; (3)ACD/LogD (pH 7.4): 4.53; (4)ACD/BCF (pH 5.5): 1123.77; (5)ACD/BCF (pH 7.4): 1624.1; (6)ACD/KOC (pH 5.5): 4776.56; (7)ACD/KOC (pH 7.4): 6903.22; (8)#H bond acceptors: 3; (9)Polar Surface Area: 29.54Å2; (10)Index of Refraction: 1.593; (11)Molar Refractivity: 72.69 cm3; (12)Molar Volume: 214.3 cm3; (13)Polarizability: 28.81x10-24cm3; (14)Surface Tension: 49.3 dyne/cm; (15)Flash Point: 224.3 °C; (16)Enthalpy of Vaporization: 70.56 kJ/mol; (17)Boiling Point: 447.3 °C at 760 mmHg; (18)Vapour Pressure: 3.39E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is is irritating to eyes, respiratory system and skin. It is harmful by inhalation or in contact with skin and if swallowed. When you are using it, please 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: FC(F)(F)C=1c2c(OC(=O)C=1)c4c3c(c2)CCCN3CCC4
(2)InChI: InChI=1/C16H14F3NO2/c17-16(18,19)12-8-13(21)22-15-10-4-2-6-20-5-1-3-9(14(10)20)7-11(12)15/h7-8H,1-6H2
(3)InChIKey: VSSSHNJONFTXHS-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C16H14F3NO2/c17-16(18,19)12-8-13(21)22-15-10-4-2-6-20-5-1-3-9(14(10)20)7-11(12)15/h7-8H,1-6H2
(5)Std. InChIKey: VSSSHNJONFTXHS-UHFFFAOYSA-N
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