CAS No.893-33-4,4,4,4-TRIFLUORO-1-(2-NAPHTHYL)-1,3-BUTANEDIONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	893-33-4
Name:	4,4,4-TRIFLUORO-1-(2-NAPHTHYL)-1,3-BUTANEDIONE
Article Data:	12

Formula:	C₁₄H₉F₃O₂
Molecular Weight:	266.219
Synonyms:	4,4,4-Trifluoro-1-(2-naphthyl)-1,3-butanedione;2-Naphthoyltrifluoroacetone;4,4,4-Trifluoro-1-(2-naphthalenyl)-1,3-butanedione;4,4,4-Trifluoro-1-(2'-naphthyl)-1,3-butanedione;4-(2-Naphthyl)-1,1,1-trifluoro-2,4-butanedione;NSC 42790;b-Naphthoyltrifluoroacetone;1,3-Butanedione,4,4,4-trifluoro-1-(2-naphthyl)- (6CI,8CI);1-(2-Naphthoyl)-3,3,3-trifluoroacetone;1-(2-Naphthyl)-4,4,4-trifluoro-1,3-butanedione;
Density:	1.32g/cm³
Melting Point:	70-72 °C(lit.)
Boiling Point:	350.7 °C at 760 mmHg
Flash Point:	125.9 °C
Appearance:	beige crystals or crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-24/25
PSA:	34.14000
LogP:	3.54400

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Specification

The 1,3-Butanedione,4,4,4-trifluoro-1-(2-naphthalenyl)-, with CAS registry number 893-33-4, has the systematic name of 4,4,4-trifluoro-1-(naphthalen-2-yl)butane-1,3-dione. This chemical is a kind of beige crystals or crystalline powder. And the chemical formula of this chemical is C₁₄H₉F₃O₂.

Physical properties of 1,3-Butanedione,4,4,4-trifluoro-1-(2-naphthalenyl)-: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.3; (4)ACD/LogD (pH 7.4): 4.09; (5)ACD/BCF (pH 5.5): 5949.43; (6)ACD/BCF (pH 7.4): 369.58; (7)ACD/KOC (pH 5.5): 16407.53; (8)ACD/KOC (pH 7.4): 1019.24; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 63.87 cm³; (15)Molar Volume: 201.6 cm³; (16)Polarizability: 25.32×10^-24cm³; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 125.9 °C; (20)Enthalpy of Vaporization: 59.54 kJ/mol; (21)Boiling Point: 350.7 °C at 760 mmHg; (22)Vapour Pressure: 4.31E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-naphthalen-2-yl-ethanone and trifluoroacetic acid ethyl ester. This reaction will need reagent sodium methylate.

1,3-Butanedione,4,4,4-trifluoro-1-(2-naphthalenyl)- can be prepared by 1-naphthalen-2-yl-ethanone and trifluoroacetic acid ethyl ester.

When you are using this chemical, please be cautious about it as the following:
The 1,3-Butanedione,4,4,4-trifluoro-1-(2-naphthalenyl)- irritates to eyes, respiratory system and skin. When use it, do not breathe dust and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(=O)CC(=O)c2ccc1c(cccc1)c2
(2)InChI: InChI=1/C14H9F3O2/c15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
(3)InChIKey: WVVLURYIQCXPIV-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C14H9F3O2/c15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
(5)Std. InChIKey: WVVLURYIQCXPIV-UHFFFAOYSA-N