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Benzene,1-bromo-4-(1,1,2,2-tetrafluoroethoxy)-

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Name

Benzene,1-bromo-4-(1,1,2,2-tetrafluoroethoxy)-

EINECS 272-431-4
CAS No. 68834-05-9 Density 1.621 g/cm3
PSA 9.23000 LogP 3.68580
Solubility N/A Melting Point N/A
Formula C8H5BrF4O Boiling Point 216.5 °C at 760 mmHg
Molecular Weight 273.025 Flash Point 103.8 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 68834-05-9 (1-BROMO-4-(TETRAFLUOROETHOXY)BENZENE) Hazard Symbols IrritantXi
Synonyms

1-Bromo-4-(1,1,2,2-tetrafluoroethoxy)benzene;4-(1,1,2,2-Tetrafluoroethoxy)bromobenzene;4-Bromo(1,1,2,2-tetrafluoroethoxy)benzene;1-Bromo-4-(tetrafluoroethoxy)benzene;4-Bromophenyl 1,1,2,2-tetrafluoroethyl ether;

Article Data 3

Benzene,1-bromo-4-(1,1,2,2-tetrafluoroethoxy)- Specification

The Benzene,1-bromo-4-(1,1,2,2-tetrafluoroethoxy)-, with the CAS registry number 68834-05-9, is also known as 4-Bromo(1,1,2,2-tetrafluoroethoxy)benzene. It belongs to the product categories of Ethers; Organic Building Blocks; Oxygen Compounds. Its EINECS number is 272-431-4. This chemical's molecular formula is C8H5BrF4O and formula weight is 273.02. What's more, its IUPAC name is 1-bromo-4-(1,1,2,2-tetrafluoroethoxy)benzene. It is used as intermediates of liquid crystals. It should be sealed and stored in cool and dry place and be protected from strong oxidizers.

Physical properties of Benzene,1-bromo-4-(1,1,2,2-tetrafluoroethoxy)- are: (1)ACD/LogP: 4.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.43; (4)ACD/BCF (pH 5.5): 1365.34; (5)ACD/KOC (pH 5.5): 6106.67; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 9.23 Å2; (10)Index of Refraction: 1.456; (11)Molar Refractivity: 45.83 cm3; (12)Molar Volume: 168.3 cm3; (13)Surface Tension: 27.2 dyne/cm; (14)Density: 1.621 g/cm3; (15)Flash Point: 103.8 °C; (16)Enthalpy of Vaporization: 43.44 kJ/mol; (17)Boiling Point: 216.5 °C at 760 mmHg; (18)Vapour Pressure: 0.205 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irespiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(OC(F)(F)C(F)F)cc1
(2)InChI: InChI=1S/C8H5BrF4O/c9-5-1-3-6(4-2-5)14-8(12,13)7(10)11/h1-4,7H
(3)InChIKey: VKJYIOCMIHTAET-UHFFFAOYSA-N

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