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| CAS No.: | 53518-15-3 |
|---|---|
| Name: | Coumarin 151 |
| Molecular Structure: | |
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|
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| Formula: | C10H6F3NO2 |
| Molecular Weight: | 229.158 |
| Synonyms: | 4-(Trifluoromethyl)-7-aminocoumarin;7-Amino-4-(trifluoromethyl)coumarin;Coumarin 151;Coumarin 490;NSC 337981; |
| EINECS: | 258-599-1 |
| Density: | 1.523g/cm3 |
| Melting Point: | 221-222 ºC |
| Boiling Point: | 314.6°Cat760mmHg |
| Flash Point: | 144.1°C |
| Solubility: | Soluble in dimethyl sulfoxide (25 mg/ml), dimethyl formamide (25 mg/ml), and methanol (25 mg/ml). Insoluble in water. |
| Appearance: | yellow powder |
| Hazard Symbols: |
 Xn Xi
|
| Risk Codes: | R20/21/22;R36/37/38 |
| Safety: | S26;S37/39 |
| PSA: | 56.23000 |
| LogP: | 2.97520 |
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Specification
The Coumarin 151 with cas registry number of 53518-15-3, it belongs to the following product categories: (1)Scintillators; (2)Coumarin. Its IUPAC name is 7-amino-4-(trifluoromethyl)chromen-2-one. Chemical properties of Coumarin 151 is yellow powder. Its raw materials are Zinc chloride-->Ethyl 4,4,4-trifluoroacetoacetate-->3-Aminophenol.
Physical properties about this chemical are: (1)XLogP3: 2.1; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 6; (4)Rotatable Bond Count: 0; (5)Tautomer Count: 5; (6)Exact Mass: 229.035063; (7)MonoIsotopic Mass: 229.035063; (8)Topological Polar Surface Area: 52.3; (9)Heavy Atom Count: 16; (10)Formal Charge: 0; (11)Complexity: 337; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin. S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36:Wear suitable protective clothing. S37/39:Wear suitable gloves and eye/face protection.
When you are using this chemical, please be cautious about it as the following:
The Coumarin 151 irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
Besides this, Coumarin 151 is also harmful by inhalation and if swallowed.
You can still convert the following datas into molecular structure:
(1)InCh: InChI=1/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2;
(2)SMILES: c1(C(F)(F)F)c2c(cc(cc2)N)oc(c1)=O.