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CAS No.: | 132837-02-6 |
---|---|
Name: | 1-Bromo-3-(2-fluoro-ethoxy)-benzene |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H8BrFO |
Molecular Weight: | 219.0509232 |
Synonyms: | 1-Bromo-3-(2-fluoroethoxy)benzene; |
Density: | 1.445 g/cm3 |
Boiling Point: | 240.5 °C at 760 mmHg |
Flash Point: | 118.7 °C |
PSA: | 9.23000 |
LogP: | 2.79740 |
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The CAS registry number of 1-Bromo-3-(2-fluoro-ethoxy)-benzene is 132837-02-6. This chemical's molecular formula is C8H8BrFO and molecular weight is 219.0509232. What's more, both its IUPAC name and systematic name are the same which is called 1-Bromo-3-(2-fluoroethoxy)benzene.
Physical properties about 1-Bromo-3-(2-fluoro-ethoxy)-benzene are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 174.48; (6)ACD/BCF (pH 7.4): 174.48; (7)ACD/KOC (pH 5.5): 1400.38; (8)ACD/KOC (pH 7.4): 1400.38; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 45.41 cm3; (15)Molar Volume: 151.5 cm3; (16)Surface Tension: 33.1 dyne/cm; (17)Density: 1.445 g/cm3; (18)Flash Point: 118.7 °C; (19)Enthalpy of Vaporization: 45.81 kJ/mol; (20)Boiling Point: 240.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0586 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(OCCF)ccc1
(2) InChI: InChI=1/C8H8BrFO/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,4-5H2
(3) InChIKey: CWLIUMZAKGSQFJ-UHFFFAOYAP