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Name |
Benzene,1-bromo-4-(hexyloxy)- |
EINECS | N/A |
CAS No. | 30752-19-3 | Density | 1.212 g/cm3 |
PSA | 9.23000 | LogP | 4.40820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H17BrO | Boiling Point | 298.4 °C at 760 mmHg |
Molecular Weight | 257.17 | Flash Point | 126.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | R36/37/38 | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ether,p-bromophenyl hexyl (6CI,8CI);1-Bromo-4-(hexyloxy)benzene;4-Hexyloxybenzenebromide;4-Hexyloxybromobenzene;p-(Hexyloxy)bromobenzene;p-Bromophenyl hexylether;4-Bromophenyl hexyl ether;Benzene, 1-bromo-4-(hexyloxy)-; |
Article Data | 37 |
The Benzene,1-bromo-4-(hexyloxy)-, with the CAS registry number 30752-19-3, has the systematic name and IUPAC name of 1-bromo-4-(hexyloxy)benzene. It is always used as chemical reagent. And the molecular formula of the chemical is C12H17BrO.
The characteristics of Benzene,1-bromo-4-(hexyloxy)- are as followings: (1)ACD/LogP: 5.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.82; (4)ACD/LogD (pH 7.4): 5.82; (5)ACD/BCF (pH 5.5): 15660.64; (6)ACD/BCF (pH 7.4): 15660.64; (7)ACD/KOC (pH 5.5): 35013.21; (8)ACD/KOC (pH 7.4): 35013.21; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 63.78 cm3; (15)Molar Volume: 212.1 cm3; (16)Polarizability: 25.28×10-24cm3; (17)Surface Tension: 34.2 dyne/cm; (18)Density: 1.212 g/cm3; (19)Flash Point: 126.1 °C; (20)Enthalpy of Vaporization: 51.68 kJ/mol; (21)Boiling Point: 298.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00226 mmHg at 25°C.
Preparation of Benzene,1-bromo-4-(hexyloxy)-: This chemical can be prepared by 4-bromo-phenol and 1-bromo-hexane. The reaction will need reagent potassium carbonate, and the menstruum acetone. The reaction time is 43 hours with heating, and the yield is about 86%.
Uses of Benzene,1-bromo-4-(hexyloxy)-: It can react with (3-fluoro-phenyl)-dihydroxy-borane to produce 3-fluoro-4'-hexyloxy-biphenyl. This reaction will need reagent Pd(PPh3)4 and Na2CO3, and the menstruum 1,2-dimethoxy-ethane. And the yield is about 83%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ccc(OCCCCCC)cc1
(2)InChI: InChI=1/C12H17BrO/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9H,2-5,10H2,1H3
(3)InChIKey: GKLMJONYGGTHHM-UHFFFAOYAZ