Products Categories
CAS No.: | 50638-46-5 |
---|---|
Name: | 4-Bromo-3-chloroanisole |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H6BrClO |
Molecular Weight: | 221.481 |
Synonyms: | 3-Chloro-4-bromoanisole; |
Density: | 1.564 g/cm3 |
Boiling Point: | 252.9 °C at 760 mmHg |
Flash Point: | 106.8 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-51 |
PSA: | 9.23000 |
LogP: | 3.11110 |
What can I do for you?
Get Best Price
The 4-Bromo-3-chloroanisole, with the CAS registry number 50638-46-5, is also known as Benzene, 1-bromo-2-chloro-4-methoxy-. It belongs to the product categories of Blocks; Bromides; Aromatic Ethers; Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Chlorine Compounds; Benzenes. This chemical's molecular formula is C7H6BrClO and molecular weight is 221.48. What's more, both its IUPAC name and systematic name are the same which is called 1-Bromo-2-chloro-4-methoxybenzene. It should be kept in a cold and dry place.
Physical properties about 4-Bromo-3-chloroanisole are: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.9; (4)ACD/LogD (pH 7.4): 3.9; (5)ACD/BCF (pH 5.5): 544.23; (6)ACD/BCF (pH 7.4): 544.23; (7)ACD/KOC (pH 5.5): 3161.36; (8)ACD/KOC (pH 7.4): 3161.36; (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: 45.51 cm3; (15)Molar Volume: 141.5 cm3; (16)Surface Tension: 37.4 dyne/cm; (17)Density: 1.564 g/cm3; (18)Flash Point: 106.8 °C; (19)Enthalpy of Vaporization: 47.04 kJ/mol; (20)Boiling Point: 252.9 °C at 760 mmHg; (21) Vapour Pressure: 0.03 mmHg at 25 °C.
Preparation of 4-Bromo-3-chloroanisole: this chemical can be prepared by 1-Chloro-3-methoxy-benzene. This reaction needs reagent 0.2 M (CH3)4Br and solvent liquid sulphur dioxide at temperature of -23 °C. The yield is 6.5 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(OC)ccc1Br
(2) InChI: InChI=1S/C7H6BrClO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
(3) InChIKey: SUFFQYRWSRMBQC-UHFFFAOYSA-N