Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Ethylbenzyl chloride |
EINECS | N/A |
CAS No. | 1467-05-6 | Density | 1.031 g/cm3 |
PSA | 0.00000 | LogP | 2.98780 |
Solubility | Insoluble in water. | Melting Point |
-21°C |
Formula | C9H11Cl | Boiling Point | 217.1 °C at 760 mmHg |
Molecular Weight | 154.639 | Flash Point | 83.5 °C |
Transport Information | 1760 | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Toluene, a-chloro-p-ethyl- (6CI,7CI,8CI);1-Chloromethyl-4-ethylbenzene;4-(Chloromethyl)-1-ethylbenzene;4-Ethylbenzylchloride;p-Chloromethylethylbenzene;p-Ethylbenzyl chloride;a-Chloro-p-ethyltoluene; |
Article Data | 37 |
Conditions | Yield |
---|---|
Stage #1: Dimethoxymethane With chlorosulfonic acid; zinc(II) iodide In dichloromethane at -10℃; for 0.5h; Stage #2: ethylbenzene In dichloromethane at 5 - 10℃; for 1h; | 87% |
Stage #1: Dimethoxymethane With chlorosulfonic acid; zinc(II) chloride at -10℃; for 0.5h; Stage #2: ethylbenzene at 5 - 10℃; for 3h; | 77% |
Conditions | Yield |
---|---|
With thionyl chloride In benzene Heating; | 73% |
With hydrogenchloride | |
With pyridine; phosphorus trichloride In diethyl ether |
Conditions | Yield |
---|---|
With hydrogenchloride; zinc(II) chloride at 65 - 70℃; | |
With hydrogenchloride; zinc(II) chloride | |
With hydrogenchloride; phosphoric acid; acetic acid at 100℃; |
Conditions | Yield |
---|---|
With tin(IV) chloride | |
With tetrachloromethane; tin(IV) chloride at -10℃; |
ethylbenzene
chloromethyl methyl ether
acetic acid
4-ethylbenzylchloride
Conditions | Yield |
---|---|
at 100℃; |
hydrogenchloride
formaldehyd
ethylbenzene
phosphoric acid
acetic acid
4-ethylbenzylchloride
hydrogenchloride
formaldehyd
ethylbenzene
(E)-3-Ureido-but-2-enoic acid ethyl ester
4-ethylbenzylchloride
hydrogenchloride
formaldehyd
ethylbenzene
(E)-3-Ureido-but-2-enoic acid ethyl ester
A
4-ethylbenzylchloride
B
2-ethylbenzyl chloride
Conditions | Yield |
---|---|
Product distribution; |
hydrogenchloride
tetrachloromethane
formaldehyd
ethylbenzene
(E)-3-Ureido-but-2-enoic acid ethyl ester
A
4-ethylbenzylchloride
B
2-ethylbenzyl chloride
Conditions | Yield |
---|---|
Product distribution; |
This chemical is called Benzene,1-(chloromethyl)-4-ethyl-, and its systematic name is 1-(chloromethyl)-4-ethylbenzene. With the molecular formula of C9H11Cl, its molecular weight is 154.64. The CAS registry number of this chemical is 1467-05-6. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Benzene,1-(chloromethyl)-4-ethyl- can be summarised as followings: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 259.14; (6)ACD/BCF (pH 7.4): 259.14; (7)ACD/KOC (pH 5.5): 1858.7; (8)ACD/KOC (pH 7.4): 1858.7; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.519; (13)Molar Refractivity: 45.56 cm3; (14)Molar Volume: 149.9 cm3; (15)Polarizability: 18.06×10-24cm3; (16)Surface Tension: 32.9 dyne/cm; (17)Density: 1.031 g/cm3; (18)Flash Point: 83.5 °C; (19)Enthalpy of Vaporization: 43.5 kJ/mol; (20)Boiling Point: 217.1 °C at 760 mmHg; (21)Vapour Pressure: 0.198 mmHg at 25°C.
Production method of this chemical: The Benzene,1-(chloromethyl)-4-ethyl- could be obtained by the reactant of 4-ethyl-benzyl alcohol. This reaction needs the reagent of PCl3, pyridine, and the solvent of diethyl ether.
Uses of this chemical: The Benzene,1-(chloromethyl)-4-ethyl- could react with hydrocyanic acid; sodium salt, and obtain the (4-ethyl-phenyl)-acetonitrile. This reaction needs the solvent of dimethylsulfoxide. The yield is 72.4 %.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it.
You can still convert the following datas into molecular structure:
1.SMILES: ClCc1ccc(cc1)CC
2.InChI: InChI=1/C9H11Cl/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2,7H2,1H3
3.InChIKey: DUBCVXSYZVTCOC-UHFFFAOYAO