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Name |
1-Bromo-1-phenylpropane |
EINECS | N/A |
CAS No. | 2114-36-5 | Density | 1.303 g/cm3 |
PSA | 0.00000 | LogP | 3.53260 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H11Br | Boiling Point | 215.5 °C at 760 mmHg |
Molecular Weight | 199.09 | Flash Point | 92.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-bromopropylbenzene;phenylpropyl bromide;1-Bromo-1-phenylpropane; |
Article Data | 30 |
The 1-Bromo-1-phenylpropane, with the CAS registry number 2114-36-5, is also known as 4-Bromo-n-propylbenzene. This chemical's molecular formula is C9H11Br and molecular weight is 199.0876. Its systematic name is called (1-bromopropyl)benzene.
Physical properties of 1-Bromo-1-phenylpropane: (1)ACD/LogP: 3.80; (2)ACD/LogD (pH 5.5): 3.8; (3)ACD/LogD (pH 7.4): 3.8; (4)ACD/BCF (pH 5.5): 453.21; (5)ACD/BCF (pH 7.4): 453.21; (6)ACD/KOC (pH 5.5): 2773.23; (7)ACD/KOC (pH 7.4): 2773.23; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.543; (10)Molar Refractivity: 48.16 cm3; (11)Molar Volume: 152.6 cm3; (12)Surface Tension: 36.1 dyne/cm; (13)Density: 1.303 g/cm3; (14)Flash Point: 92.5 °C; (15)Enthalpy of Vaporization: 43.34 kJ/mol; (16)Boiling Point: 215.5 °C at 760 mmHg; (17)Vapour Pressure: 0.216 mmHg at 25°C.
Preparation of 1-Bromo-1-phenylpropane: this chemical can be prepared by 1-phenyl-propan-1-ol. This reaction will need reagent hydrogen bromide with reaction temperature of 0 °C.
Uses of 1-Bromo-1-phenylpropane: it can be used to produce (1-phenyl-propyl)-malonic acid diethyl ester with malonic acid diethyl ester. This reaction will need reagent NaOEt and solvent ethanol.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(c1ccccc1)CC
(2)InChI: InChI=1/C9H11Br/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
(3)InChIKey: XJSUFXFSUACKAT-UHFFFAOYAR