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Coumarin 151

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Name

Coumarin 151

EINECS 258-599-1
CAS No. 53518-15-3 Density 1.523g/cm3
PSA 56.23000 LogP 2.97520
Solubility Soluble in dimethyl sulfoxide (25 mg/ml), dimethyl formamide (25 mg/ml), and methanol (25 mg/ml). Insoluble in water. Melting Point 221-222 ºC
Formula C10H6F3NO2 Boiling Point 314.6°Cat760mmHg
Molecular Weight 229.158 Flash Point 144.1°C
Transport Information N/A Appearance yellow powder
Safety S26;S37/39 Risk Codes R20/21/22;R36/37/38   
Molecular Structure Molecular Structure of 53518-15-3 (Coumarin 151) Hazard Symbols HarmfulXnIrritantXi
Synonyms

4-(Trifluoromethyl)-7-aminocoumarin;7-Amino-4-(trifluoromethyl)coumarin;Coumarin 151;Coumarin 490;NSC 337981;

Article Data 21

Coumarin 151 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.

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