1,3-Butanedione,4,4,4-trifluoro-1-(2-naphthalenyl)- supplier

Name
4,4,4-TRIFLUORO-1-(2-NAPHTHYL)-1,3-BUTANEDIONE
EINECS
CAS No. 893-33-4
Article Data12
CAS DataBase
Density 1.32g/cm³
Solubility
Melting Point 70-72 °C(lit.)
Formula C₁₄H₉F₃O₂
Boiling Point 350.7 °C at 760 mmHg
Molecular Weight 266.219
Flash Point 125.9 °C
Transport Information
Appearance beige crystals or crystalline powder
Safety 22-24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 34.14000
LogP 3.54400

1,3-Butanedione,4,4,4-trifluoro-1-(2-naphthalenyl)- 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

Product Name

4,4,4-TRIFLUORO-1-(2-NAPHTHYL)-1,3-BUTANEDIONE

1,3-Butanedione,4,4,4-trifluoro-1-(2-naphthalenyl)- Specification

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