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2H-Tetrazole,5-[4-(trifluoromethyl)phenyl]-

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Name

2H-Tetrazole,5-[4-(trifluoromethyl)phenyl]-

EINECS N/A
CAS No. 2251-79-8 Density 1.464 g/cm3
PSA 54.46000 LogP 1.88550
Solubility N/A Melting Point 226 °C
Formula C8H5F3N4 Boiling Point 315.2 °C at 760 mmHg
Molecular Weight 214.15 Flash Point 144.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2251-79-8 (5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole) Hazard Symbols IrritantXi
Synonyms

1H-Tetrazole, 5-[4-(trifluoromethyl)phenyl]-;

Article Data 13

2H-Tetrazole,5-[4-(trifluoromethyl)phenyl]- Specification

The 2H-Tetrazole,5-[4-(trifluoromethyl)phenyl]-, with the CAS registry number of 2251-79-8, is also known as 1H-Tetrazole, 5-[4-(trifluoromethyl)phenyl]-. Its molecular formula is C8H5F3N4 and molecular weight is 214.15. What's more, its IUPAC name is 5-[4-(Trifluoromethyl)phenyl]-2H-tetrazole. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

Physical properties about the 2H-Tetrazole,5-[4-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 2.13; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.49; (8)ACD/KOC (pH 7.4): 6.48; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 44.53 cm3; (15)Molar Volume: 146.2 cm3; (16)Surface Tension: 45.5 dyne/cm; (17)Density: 1.464 g/cm3; (18)Flash Point: 144.4 °C; (19)Enthalpy of Vaporization: 55.64 kJ/mol; (20)Boiling Point: 315.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000444 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c2ccc(c1nnnn1)cc2
(2) InChI: InChI=1/C8H5F3N4/c9-8(10,11)6-3-1-5(2-4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
(3) InChIKey: CCVCHQBLMDMSNN-UHFFFAOYAO

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