CAS No.53518-18-6,Coumarin 153 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	53518-18-6
Name:	Coumarin 153

Formula:	C₁₆H₁₄F₃NO₂
Molecular Weight:	309.288
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;
EINECS:	258-600-5
Density:	1.44 g/cm³
Melting Point:	164-168 °C(lit.)
Boiling Point:	447.3 °C at 760 mmHg
Flash Point:	224.3 °C
Appearance:	yellow crystalline powder
Hazard Symbols:	Xn
Risk Codes:	36/37/38-20/21/22
Safety:	37/39-26
PSA:	33.45000
LogP:	3.57560

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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 C₁₆H₁₄F₃NO₂and 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