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CAS No.: | 123266-59-1 |
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Name: | 5,7-DIBROMO-2,3-DIHYDROBENZOFURAN |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C8H6Br2O |
Molecular Weight: | 277.94 |
Synonyms: | 5,7-Dibromo-2,3-dihydrobenzofuran; |
Density: | 1.958 g/cm3 |
Melting Point: | 34-36 °C |
Boiling Point: | 307.1 °C at 760 mmHg |
Flash Point: | 123.6 °C |
Safety: | 24/25 |
PSA: | 9.23000 |
LogP: | 3.14650 |
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The Benzofuran,5,7-dibromo-2,3-dihydro-, with the CAS registry number 123266-59-1, is also known as 5,7-Dibromo-2,3-dihydrobenzofuran. This chemical's molecular formula is C8H6Br2O and molecular weight is 277.94. What's more, its IUPAC name is called 5,7-Dibromo-2,3-dihydro-1-benzofuran.
Physical properties about Benzofuran,5,7-dibromo-2,3-dihydro- are: (1)ACD/LogP: 3.70; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.7; (4)ACD/LogD (pH 7.4): 3.7; (5)ACD/BCF (pH 5.5): 379.8; (6)ACD/BCF (pH 7.4): 379.8; (7)ACD/KOC (pH 5.5): 2443.73; (8)ACD/KOC (pH 7.4): 2443.73; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 50.8 cm3; (15)Molar Volume: 141.9 cm3; (16)Polarizability: 20.13×10-24 cm3; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.958 g/cm3; (19)Flash Point: 123.6 °C; (20)Enthalpy of Vaporization: 52.58 kJ/mol; (21)Boiling Point: 307.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00135 mmHg at 25 °C; (23)Melting Point: 34-36 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes and skin. Therefore, you should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc2cc1c(OCC1)c(Br)c2
(2) InChI: InChI=1/C8H6Br2O/c9-6-3-5-1-2-11-8(5)7(10)4-6/h3-4H,1-2H2
(3) InChIKey: NJQJUJHJJZMVNB-UHFFFAOYAM