Isoxazole, 3-(trifluoromethyl)- supplier

Name
3-trifluoromethylisoxazole
EINECS
CAS No. 32990-29-7
Density 1.384 g/cm³
Solubility
Melting Point
Formula C₄H₂F₃NO
Boiling Point 109.2 °C at 760 mmHg
Molecular Weight 137.06
Flash Point 19.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(Trifluoromethyl)isoxazole;3-(Trifluoromethyl)-1,2-oxazole;
PSA 26.03000
LogP 1.69340

Isoxazole, 3-(trifluoromethyl)- Specification

The CAS registry number of Isoxazole,3-(trifluoromethyl)- is 32990-29-7. The systematic name is 3-(trifluoromethyl)-1,2-oxazole. In addition, the molecular formula is C₄H₂F₃NO and the molecular weight is 137.06. It should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 0.65; (2)ACD/LogD (pH 5.5): 0.65; (3)ACD/LogD (pH 7.4): 0.65; (4)ACD/BCF (pH 5.5): 1.84; (5)ACD/BCF (pH 7.4): 1.84; (6)ACD/KOC (pH 5.5): 53.89; (7)ACD/KOC (pH 7.4): 53.89; (8)#H bond acceptors: 2; (9)Polar Surface Area: 26.03 Å²; (10)Index of Refraction: 1.356; (11)Molar Refractivity: 21.62 cm³; (12)Molar Volume: 98.9 cm³; (13)Polarizability: 8.57 ×10^-24cm³; (14)Surface Tension: 21.3 dyne/cm; (15)Density: 1.384 g/cm³; (16)Flash Point: 19.9 °C; (17)Enthalpy of Vaporization: 33.36 kJ/mol; (18)Boiling Point: 109.2 °C at 760 mmHg; (19)Vapour Pressure: 29.3 mmHg at 25°C.

Preparation of Isoxazole,3-(trifluoromethyl)-: it can be prepared by 5-trifluoromethyl-3-oxa-4-aza-tricyclo[5.2.1.0^2,6]deca-4,8-diene. The reaction time is 1 hour at reaction temperature of 130 °C. The yield is about 93%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1conc1C(F)(F)F
(2)InChI: InChI=1/C4H2F3NO/c5-4(6,7)3-1-2-9-8-3/h1-2H
(3)InChIKey: IXOFDKUWTXPQFC-UHFFFAOYAI

Product Name

3-trifluoromethylisoxazole

Isoxazole, 3-(trifluoromethyl)- Specification

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