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4-Bromo-3-chloroanisole

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Name

4-Bromo-3-chloroanisole

EINECS N/A
CAS No. 50638-46-5 Density 1.564 g/cm3
PSA 9.23000 LogP 3.11110
Solubility N/A Melting Point N/A
Formula C7H6BrClO Boiling Point 252.9 °C at 760 mmHg
Molecular Weight 221.481 Flash Point 106.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22-51
Molecular Structure Molecular Structure of 50638-46-5 (4-Bromo-3-chloroanisole) Hazard Symbols Xn
Synonyms

3-Chloro-4-bromoanisole;

Article Data 7

4-Bromo-3-chloroanisole Specification

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 %.

4-Bromo-3-chloroanisole can be prepared by 1-Chloro-3-methoxy-benzene.

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

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