Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Bromo-5-methoxyphenol |
EINECS | N/A |
CAS No. | 63604-94-4 | Density | 1.585g/cm3 |
PSA | 29.46000 | LogP | 2.16330 |
Solubility | N/A | Melting Point |
152 °C |
Formula | C7H7BrO2 | Boiling Point | 253.3 °C at 760 mmHg |
Molecular Weight | 203.035 | Flash Point | 107 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Bromo-5-methoxyphenol;4-Bromo-3-hydroxyanisole;QR BE EO1;phenol, 2-bromo-5-methoxy-; |
Article Data | 33 |
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