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

Name
3-(CHLOROMETHYL)-5-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE
EINECS
CAS No. 175205-84-2
Article Data2
CAS DataBase
Density 1.418 g/cm³
Solubility
Melting Point 48-50°C
Formula C₁₀H₆ClF₃N₂O
Boiling Point 314.5 °C at 760 mmHg
Molecular Weight 262.619
Flash Point 144 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols C
Synonyms 3-(Chloromethyl)-5-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole;3-(Chloromethyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;3-(Chloromethyl)-5-[4-(trifluoromethyl)phenyl]-;2-Bromo-3-(trifluoromethyl)pyridine;
PSA 38.92000
LogP 3.49420

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

The 3-(Chloromethyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole, with the CAS registry number 175205-84-2, is also called 3-(Chloromethyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₆ClF₃N₂O.

The characteristics of 3-(Chloromethyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole are as followings: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 148.88; (6)ACD/BCF (pH 7.4): 148.88; (7)ACD/KOC (pH 5.5): 1250.06; (8)ACD/KOC (pH 7.4): 1250.06; (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: 1.495; (14)Molar Refractivity: 54.07 cm³; (15)Molar Volume: 185.1 cm³; (16)Polarizability: 21.43×10^-24cm³; (17)Surface Tension: 36.5 dyne/cm; (18)Density: 1.418 g/cm³; (19)Flash Point: 144 °C; (20)Enthalpy of Vaporization: 53.35 kJ/mol; (21)Boiling Point: 314.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000858 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCc1nc(on1)c2ccc(cc2)C(F)(F)F
(2)InChI: InChI=1/C10H6ClF3N2O/c11-5-8-15-9(17-16-8)6-1-3-7(4-2-6)10(12,13)14/h1-4H,5H2
(3)InChIKey: IOVWIIJODVBCRC-UHFFFAOYAV

Product Name

3-(CHLOROMETHYL)-5-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE

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

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