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CAS No.: | 32978-38-4 |
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Name: | 2(5H)-Furanone,4-bromo-5-ethoxy- |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H7BrO3 |
Molecular Weight: | 207.024 |
Synonyms: | 4-Bromo-5-ethoxyfuran-2(5H)-one; |
EINECS: | 1308068-626-2 |
Density: | 1.638 g/cm3 |
Boiling Point: | 298.694 °C at 760 mmHg |
Flash Point: | 134.445 °C |
Safety: | 24/25 |
PSA: | 35.53000 |
LogP: | 1.18460 |
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The CAS registry number of 2(5H)-Furanone,4-bromo-5-ethoxy- is 32978-38-4. This chemical's molecular formula is C6H7BrO3 and molecular weight is 207.022. What's more, its systematic name is 4-Bromo-5-ethoxyfuran-2(5H)-one.
Physical properties about 2(5H)-Furanone,4-bromo-5-ethoxy-: (1)ACD/LogP: -0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 36 ; (8)ACD/KOC (pH 7.4): 36; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 38.764 cm3; (15)Molar Volume: 126.361 cm3; (16)Surface Tension: 41.761 dyne/cm; (17)Density: 1.638 g/cm3; (18)Flash Point: 134.445 °C; (19)Enthalpy of Vaporization: 53.863 kJ/mol; (20)Boiling Point: 298.694 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Br/C1=C/C(=O)OC1OCC
(2) InChI: InChI=1/C6H7BrO3/c1-2-9-6-4(7)3-5(8)10-6/h3,6H,2H2,1H3
(3) InChIKey: VPULYXZQTHMKTL-UHFFFAOYAQ