-
Name
1-BROMO-8-PHENYLOCTANE
- EINECS
- CAS No. 54646-75-2
- Article Data17
- CAS DataBase
- Density 1.148g/cm3
- Solubility
- Melting Point
- Formula C14H21Br
- Boiling Point 331.3 °C at 760 mmHg
- Molecular Weight 269.225
- Flash Point 171.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Octane,1-bromo-8-phenyl- (6CI);(8-Bromooctyl)benzene;1-Bromo-8-phenyloctane;8-Phenyloctyl bromide;
- PSA 0.00000
- LogP 4.96460
Benzene,(8-bromooctyl)- Specification
The Benzene,(8-bromooctyl)-, with CAS registry number 54646-75-2, has the systematic name of (8-bromooctyl)benzene. Besides this, it is also called 1-Bromo-8-phenyloctane. Its molecular weight is 269.22. And the chemical formula of this chemical is C14H21Br.
Physical properties of Benzene,(8-bromooctyl)-: (1)ACD/LogP: 6.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.26; (4)ACD/LogD (pH 7.4): 6.26; (5)ACD/BCF (pH 5.5): 33641.99; (6)ACD/BCF (pH 7.4): 33641.99; (7)ACD/KOC (pH 5.5): 60523.8; (8)ACD/KOC (pH 7.4): 60523.8; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 71.33 cm3; (15)Molar Volume: 234.4 cm3; (16)Polarizability: 28.27×10-24cm3; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.148 g/cm3; (19)Flash Point: 171.8 °C; (20)Enthalpy of Vaporization: 55.12 kJ/mol; (21)Boiling Point: 331.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000302 mmHg at 25°C.
Preparation: this chemical can be prepared by 8-phenyloctanol. This reaction will need reagents aq. HBr, H2SO4.
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You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCCCCCc1ccccc1
(2)InChI: InChI=1/C14H21Br/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2
(3)InChIKey: XGBMCFCZEKCCDJ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C14H21Br/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2
(5)Std. InChIKey: XGBMCFCZEKCCDJ-UHFFFAOYSA-N
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