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CAS No.: | 38220-77-8 |
---|---|
Name: | (5-BROMO-1-BENZOFURAN-2-YL)METHANOL |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C9H7BrO2 |
Molecular Weight: | 227.057 |
Synonyms: | (5-Bromo-1-benzofuran-2-yl)methanol; |
Density: | 1.665 g/cm3 |
Melting Point: | 101 °C |
Boiling Point: | 332.6 °C at 760 mmHg |
Flash Point: | 155 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 33.37000 |
LogP: | 2.68760 |
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The 2-Benzofuranmethanol, 5-bromo- has the CAS registry number 38220-77-8. This chemical's molecular formula is C9H7BrO2 and molecular weight is 227.05. What's more, its systematic name is (5-bromo-1-benzofuran-2-yl)methanol.
Physical properties of 2-Benzofuranmethanol, 5-bromo- are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.63; (6)ACD/BCF (pH 7.4): 30.63; (7)ACD/KOC (pH 5.5): 403.05; (8)ACD/KOC (pH 7.4): 403.05; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.37 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 50.53 cm3; (15)Molar Volume: 136.3 cm3; (16)Polarizability: 20.03×10-24cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.665 g/cm3; (19)Flash Point: 155 °C; (20)Enthalpy of Vaporization: 60.74 kJ/mol; (21)Boiling Point: 332.6 °C at 760 mmHg; (22)Vapour Pressure: 5.73E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc1c(oc(c1)CO)cc2
(2)InChI: InChI=1S/C9H7BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,11H,5H2
(3)InChIKey: JYYWIDBNICYLBN-UHFFFAOYSA-N