Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Bromo-5-chloroanisole |
EINECS | N/A |
CAS No. | 174913-12-3 | Density | 1.564 g/cm3 |
PSA | 9.23000 | LogP | 3.11110 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H6BrClO | Boiling Point | 236.473 °C at 760 mmHg |
Molecular Weight | 221.481 | Flash Point | 96.816 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Bromo-3-chloro-5-methoxybenzene; |
Article Data | 3 |
This chemical is called 3-Bromo-5-chloroanisole, and its systematic name is 1-Bromo-3-chloro-5-methoxybenzene. With the molecular formula of C7H6BrClO, its molecular weight is 221.48. The CAS registry number of this chemical is 174913-12-3. Additionally, it should be stored at room temperature.
Other characteristics of the 3-Bromo-5-chloroanisole can be summarised as followings: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 457; (6)ACD/BCF (pH 7.4): 457; (7)ACD/KOC (pH 5.5): 2789; (8)ACD/KOC (pH 7.4): 2789; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 45.517 cm3; (15)Molar Volume: 141.571 cm3; (16)Polarizability: 18.044×10-24cm3; (17)Surface Tension: 37.489 dyne/cm; (18)Density: 1.564 g/cm3; (19)Flash Point: 96.816 °C; (20)Enthalpy of Vaporization: 45.407 kJ/mol; (21)Boiling Point: 236.473 °C at 760 mmHg; (22)Vapour Pressure: 0.073 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(OC)cc(Br)c1
2.InChI: InChI=1/C7H6BrClO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
3.InChIKey: VOGGSKPTKSAXHR-UHFFFAOYAN