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CAS No.: | 63604-94-4 |
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Name: | 2-BROMO-5-METHOXYPHENOL |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C7H7BrO2 |
Molecular Weight: | 203.035 |
Synonyms: | 2-Bromo-5-methoxyphenol;4-Bromo-3-hydroxyanisole;QR BE EO1;phenol, 2-bromo-5-methoxy-; |
Density: | 1.585g/cm3 |
Melting Point: | 152 °C |
Boiling Point: | 253.3 °C at 760 mmHg |
Flash Point: | 107 °C |
PSA: | 29.46000 |
LogP: | 2.16330 |
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The 2-Bromo-5-methoxyphenol, with the CAS registry number 63604-94-4, is also called phenol, 2-bromo-5-methoxy-. It belongs to the product categories of Blocks and Bromides. And the molecular formula of the chemical is C7H7BrO2.
The characteristics of 2-Bromo-5-methoxyphenol are as followings: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 74; (6)ACD/BCF (pH 7.4): 60.68; (7)ACD/KOC (pH 5.5): 757.25; (8)ACD/KOC (pH 7.4): 621.02; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 42.5 cm3; (15)Molar Volume: 128 cm3; (16)Polarizability: 16.84×10-24cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.585 g/cm3; (19)Flash Point: 107 °C; (20)Enthalpy of Vaporization: 51.06 kJ/mol; (21)Boiling Point: 253.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0115 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1cc(OC)ccc1Br
(2)InChI: InChI=1/C7H7BrO2/c1-10-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3
(3)InChIKey: KHGMUWBYGFWGCZ-UHFFFAOYAH