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| CAS No.: | 7497-87-2 |
|---|---|
| Name: | 1-(3-BROMOPROPOXY)-4-BROMOBENZENE |
| Molecular Structure: | |
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| Formula: | C9H10Br2O |
| Molecular Weight: | 293.986 |
| Synonyms: | 1-Bromo-3-(4-bromophenoxy)propane;3-(4-Bromophenoxy)propyl bromide;4-Bromophenyl 3-bromopropyl ether;NSC 406842; |
| Density: | 1.672 g/cm3 |
| Boiling Point: | 324.1 °C at 760 mmHg |
| Flash Point: | 131.2 °C |
| PSA: | 9.23000 |
| LogP: | 3.61290 |
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Specification
The Benzene, 1-bromo-4-(3-bromopropoxy)-, with the CAS registry number 7497-87-2, is also known as 1-Bromo-3-(4-bromophenoxy)propane. This chemical's molecular formula is C9H10Br2O and molecular weight is 293.9831. What's more, its IUPAC name is 1-Bromo-4-(3-bromopropoxy)benzene.
Physical properties about Benzene, 1-bromo-4-(3-bromopropoxy)- are: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.569; (8)Molar Refractivity: 57.61 cm3; (9)Molar Volume: 175.8 cm3; (10)Polarizability: 22.84×10-24 cm3; (11)Surface Tension: 41.4 dyne/cm; (12)Density: 1.672 g/cm3; (13)Flash Point: 131.2 °C; (14)Enthalpy of Vaporization: 54.36 kJ/mol; (15)Boiling Point: 324.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000474 mmHg at 25 °C.
Preparation of Benzene, 1-bromo-4-(3-bromopropoxy)-: this chemical is prepared by reaction of 4-Bromo-phenol with 1, 3-Dibromo-propane. The reaction needs reagent K2CO3 and solvent Acetonitrile. The yield is about 80 %.
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Uses of Benzene, 1-bromo-4-(3-bromopropoxy)-: it is used to produce other chemicals. For example, it is used to produce [3-(4-Bromo-phenoxy)-propyl]-dimethyl-amine. This reaction needs reagents TEA and AgOTs. Meanwhile, it needs solvent CH2Cl2. The yield is about 91 %.
![Benzene, 1-bromo-4-(3-bromopropoxy)- can react with Dimethylamine to get [3-(4-Bromo-phenoxy)-propyl]-dimethyl-amine.](/UserFilesUpload/Uses of Benzene, 1-bromo-4-(3-bromopropoxy)-.png)
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(OCCCBr)cc1
(2) InChI: InChI=1/C9H10Br2O/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H2
(3) InChIKey: SBXHUNUKIBIOEC-UHFFFAOYAU