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54540-58-8

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Basic Information
CAS No.: 54540-58-8
Name: 1-(4-chlorobutyl)-4-fluorobenzene
Article Data: 6
Molecular Structure:
Molecular Structure of 54540-58-8 (1-(4-chlorobutyl)-4-fluorobenzene)
Formula: C10H12ClF
Molecular Weight: 186.657
Synonyms: 1-(4-Chlorobutyl)-4-fluorobenzene;1-Chloro-4-(4-fluorophenyl)butane;4-(p-Fluorophenyl)butyl chloride;
EINECS: 259-206-6
Density: 1.092 g/cm3
Boiling Point: 253.5 °C at 760 mmHg
Flash Point: 120.2 °C
PSA: 0.00000
LogP: 3.38720
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Specification

The Benzene,1-(4-chlorobutyl)-4-fluoro- has CAS registry number 54540-58-8. Its EINECS number is 259-206-6. This chemical's molecular formula is C10H12ClF and molecular weight is 186.65. What's more, its IUPAC name is 1-(4-chlorobutyl)-4-fluorobenzene.

Physical properties of Benzene,1-(4-chlorobutyl)-4-fluoro- are: (1)ACD/LogP: 4.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 4.05; (5)ACD/BCF (pH 5.5): 704.97; (6)ACD/BCF (pH 7.4): 704.97; (7)ACD/KOC (pH 5.5): 3804.73; (8)ACD/KOC (pH 7.4): 3804.73; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 49.91 cm3; (15)Molar Volume: 170.8 cm3; (16)Polarizability: 19.78×10-24cm3; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 1.092 g/cm3; (19)Flash Point: 120.2 °C; (20)Enthalpy of Vaporization: 47.1 kJ/mol; (21)Boiling Point: 253.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0291 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)CCCCCl
(2)Std. InChI: InChI=1S/C10H12ClF/c11-8-2-1-3-9-4-6-10(12)7-5-9/h4-7H,1-3,8H2
(3)Std. InChIKey: QMDPGDCZIVOKNA-UHFFFAOYSA-N