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3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

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Name

3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

EINECS N/A
CAS No. 175205-63-7 Density 1.418 g/cm3
PSA 38.92000 LogP 3.49420
Solubility N/A Melting Point 25-27 °C
Formula C10H6ClF3N2O Boiling Point 322.524 °C at 760 mmHg
Molecular Weight 262.619 Flash Point 148.858 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 175205-63-7 (3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole) Hazard Symbols CorrosiveC
Synonyms

BUTTPARK 48\08-26;3-(CHLOROMETHYL)-5-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE;TIMTEC-BB SBB005579;3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole95+%;3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-

Article Data 2

3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole Specification

The IUPAC name of 3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is 3-(chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole. With the CAS registry number 175205-63-7, it is also named as 1,2,4-Oxadiazole,3-(chloromethyl)-5-[3-(trifluoromethyl)phenyl]-. The product's categories are methyl halides, oxadiazoles & thiadiazoles, methyl halides, oxadiazoles & thiadiazoles. In addition, its molecular formula is C10H6ClF3N2O and its molecular weight is 262.62. 

The other characteristics of 3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole can be summarized as: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.048; (4)ACD/LogD (pH 7.4): 3.048; (5)ACD/BCF (pH 5.5): 122.057; (6)ACD/BCF (pH 7.4): 122.057; (7)ACD/KOC (pH 5.5): 1084.354; (8)ACD/KOC (pH 7.4): 1084.354; (9)H bond acceptors: 3; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.92 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 54.072 cm3; (15)Molar Volume: 185.166 cm3; (16)Polarizability: 21.436×10-24cm3; (17)Surface Tension: 36.576 dyne/cm; (18)Density: 1.418 g/cm3; (19)Flash Point: 148.858 °C; (20)Melting point: 25-27 °C; (21)Enthalpy of Vaporization: 54.193 kJ/mol; (22)Boiling Point: 322.524 °C at 760 mmHg; (23)Vapour Pressure: 0.001 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole may cause burns. So please wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES:c1cc(cc(c1)C(F)(F)F)c2nc(no2)CCl
(2)InChI:InChI=1/C10H6ClF3N2O/c11-5-8-15-9(17-16-8)6-2-1-3-7(4-6)10(12,13)14/h1-4H,5H2
(3)InChIKey:INANILNLXTUPHD-UHFFFAOYAX
(4)Std. InChI:InChI=1S/C10H6ClF3N2O/c11-5-8-15-9(17-16-8)6-2-1-3-7(4-6)10(12,13)14/h1-4H,5H2
(5)Std. InChIKey:INANILNLXTUPHD-UHFFFAOYSA-N

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