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2248-13-7

Basic Information
CAS No.: 2248-13-7
Name: 4-(4-FLUOROPHENYL)-1-BUTENE
Article Data: 11
Molecular Structure:
Molecular Structure of 2248-13-7 (4-(4-FLUOROPHENYL)-1-BUTENE)
Formula: C10H11F
Molecular Weight: 150.196
Synonyms: 4-(4-Fluorophenyl)-1-butene;4-(4-Fluorophenyl)but-1-ene;1-But-3-en-1-yl-4-fluorobenzene;
Density: 0.971 g/cm3
Boiling Point: 182.7 °C at 760 mmHg
Flash Point: 56.1 °C
Hazard Symbols: IrritantXi
PSA: 0.00000
LogP: 2.94430
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Specification

The Benzene,1-(3-buten-1-yl)-4-fluoro-, with the CAS registry number 2248-13-7, is also known as 4-(4-Fluorophenyl)-1-butene. This chemical's molecular formula is C10H11F and molecular weight is 150.19. What's more, its systematic name is 1-but-3-en-1-yl-4-fluorobenzene. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes. 

Physical properties of Benzene,1-(3-buten-1-yl)-4-fluoro- are: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/LogD (pH 7.4): 3.88; (5)ACD/BCF (pH 5.5): 519.13; (6)ACD/BCF (pH 7.4): 519.13; (7)ACD/KOC (pH 5.5): 3056.31; (8)ACD/KOC (pH 7.4): 3056.31; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 44.78 cm3; (15)Molar Volume: 154.5 cm3; (16)Polarizability: 17.75×10-24cm3; (17)Surface Tension: 29.2 dyne/cm; (18)Density: 0.971 g/cm3; (19)Flash Point: 56.1 °C; (20)Enthalpy of Vaporization: 40.18 kJ/mol; (21)Boiling Point: 182.7 °C at 760 mmHg; (22)Vapour Pressure: 1.09 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-bromomethyl-4-fluoro-benzene and allylmagnesium chloride by heating. This reaction will need reagent diethyl ether. The reaction time is 16 hours. The yield is about 79%.

Benzene,1-(3-buten-1-yl)-4-fluoro- can be prepared by 1-bromomethyl-4-fluoro-benzene and allylmagnesium chloride by heating

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)CC\C=C
(2)Std. InChI: InChI=1S/C10H11F/c1-2-3-4-9-5-7-10(11)8-6-9/h2,5-8H,1,3-4H2
(3)Std. InChIKey: FFFAIJCWQUVINB-UHFFFAOYSA-N