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| CAS No.: | 55162-34-0 |
|---|---|
| Name: | 4-BROMOPHENYL 2-CHLOROETHYL ETHER |
| Molecular Structure: | |
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| Formula: | C8H8BrClO |
| Molecular Weight: | 235.508 |
| Synonyms: | 1-(p-Bromophenoxy)-2-chloroethane;1-Bromo-4-(2-chloroethoxy)benzene;2-Chloroethyl 4-bromophenyl ether;4-(2-Chloroethoxy)bromobenzene;4-Bromo-b-chlorophenetole;4-Bromophenyl 2-chloroethyl ether; |
| EINECS: | 259-507-2 |
| Density: | 1.495 g/cm3 |
| Melting Point: | 55-57 °C (lit.) |
| Boiling Point: | 279.8 °C at 760 mmHg |
| Flash Point: | 123 °C |
| Appearance: | white powder or crystals |
| PSA: | 9.23000 |
| LogP: | 3.06670 |
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- Total:17 Page 1 of 1 1
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Specification
The Benzene, 1-bromo-4-(2-chloroethoxy)-, with the CAS registry number 55162-34-0, is also known as 4-Bromophenyl 2-chloroethyl ether. It belongs to the product categories of Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Chlorine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. And its EINECS registry number is 259-507-2. This chemical's molecular formula is C8H8BrClO and molecular weight is 235.51. What's more, its IUPAC name is 1-Bromo-4-(2-chloroethoxy)benzene. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about Benzene, 1-bromo-4-(2-chloroethoxy)- are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 334.42; (6)ACD/BCF (pH 7.4): 334.42; (7)ACD/KOC (pH 5.5): 2230.97; (8)ACD/KOC (pH 7.4): 2230.97; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 50.1 cm3; (15)Molar Volume: 157.5 cm3; (16)Polarizability: 19.86×10-24 cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.495 g/cm3; (19)Flash Point: 123 °C; (20)Enthalpy of Vaporization: 49.77 kJ/mol; (21)Boiling Point: 279.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00666 mmHg at 25 °C.
Preparation of Benzene, 1-bromo-4-(2-chloroethoxy)-: this chemical is prepared by (2-Chloro-ethoxy)-benzene. This reaction needs reagents NaClO2, Mn(acac)3, NaBr, H2O, Al2O3. Meanwhile, it needs solvent CH2Cl2. The reaction time is 80 minutes with reaction temperature of 20 °C. The yield is about 93 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(OCCCl)cc1
(2) InChI: InChI=1/C8H8BrClO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6H2
(3) InChIKey: VRODDNARFBDTNM-UHFFFAOYAU