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| CAS No.: | 79098-20-7 |
|---|---|
| Name: | 4-CHLOROPENTYLBENZENE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C11H15Cl |
| Molecular Weight: | 182.693 |
| Synonyms: | 4-Chloropentylbenzen;4-Chloropentylbenzene; |
| Density: | 0.994 g/cm3 |
| Boiling Point: | 236.4 °C at 760 mmHg |
| Flash Point: | 100.8 °C |
| PSA: | 0.00000 |
| LogP: | 4.07270 |
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- Total:8 Page 1 of 1 1
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Specification
The CAS register number of Benzene,1-chloro-4-pentyl- is 79098-20-7. It also can be called as 4-Chloropentylbenzen and the IUPAC name about this chemical is 1-chloro-4-pentylbenzene. The molecular formula about this chemical is C11H15Cl and the molecular weight is 182.69.
Physical properties about Benzene,1-chloro-4-pentyl- are: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.4; (4)ACD/LogD (pH 7.4): 5.4; (5)ACD/BCF (pH 5.5): 7466.38; (6)ACD/BCF (pH 7.4): 7466.38; (7)ACD/KOC (pH 5.5): 20604.54; (8)ACD/KOC (pH 7.4): 20604.54; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.506; (11)Molar Refractivity: 54.59 cm3; (12)Molar Volume: 183.7 cm3; (13)Polarizability: 21.64x10-24cm3; (14)Surface Tension: 32.6 dyne/cm; (15)Density: 0.994 g/cm3; (16)Flash Point: 100.8 °C; (17)Enthalpy of Vaporization: 45.4 kJ/mol; (18)Boiling Point: 236.4 °C at 760 mmHg; (19)Vapour Pressure: 0.0728 mmHg at 25 °C.
Preparation: this chemical can be prepared by 1-(4-Chlorphenyl)-pentadien-1,3. This reaction will need reagent of H2 and solvent of ethyl acetate. This reaction needs catalytic agent of 10percent Pd/C. The reaction time is 20 mins with reaction pressure of 760. The yield is about 98%.
Uses of Benzene,1-chloro-4-pentyl-: it can be used to produce 4-pentyl-aniline. This reaction will need reagents of 30 percent aq. NH3, CuCl. The reaction time is 6 hours with reaction temperature of 280 °C. The yield is about 82%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)CCCCC
(2)InChI: InChI=1/C11H15Cl/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3
(3)InChIKey: GPRIKJSAAYMDPC-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C11H15Cl/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3
(5)Std. InChIKey: GPRIKJSAAYMDPC-UHFFFAOYSA-N