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4-Ethylbenzyl chloride

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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 Molecular Structure of 1467-05-6 (4-Ethylbenzyl chloride) Hazard Symbols IrritantXi
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

4-Ethylbenzyl chloride Synthetic route

109-87-5

Dimethoxymethane

100-41-4

ethylbenzene

1467-05-6

4-ethylbenzylchloride

Conditions
ConditionsYield
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%
768-59-2

4-ethylbenzyl alcohol

1467-05-6

4-ethylbenzylchloride

Conditions
ConditionsYield
With thionyl chloride In benzene Heating;73%
With hydrogenchloride
With pyridine; phosphorus trichloride In diethyl ether
50-00-0

formaldehyd

100-41-4

ethylbenzene

1467-05-6

4-ethylbenzylchloride

Conditions
ConditionsYield
With hydrogenchloride; zinc(II) chloride at 65 - 70℃;
With hydrogenchloride; zinc(II) chloride
With hydrogenchloride; phosphoric acid; acetic acid at 100℃;
100-41-4

ethylbenzene

107-30-2

chloromethyl methyl ether

1467-05-6

4-ethylbenzylchloride

Conditions
ConditionsYield
With tin(IV) chloride
With tetrachloromethane; tin(IV) chloride at -10℃;
100-41-4

ethylbenzene

107-30-2

chloromethyl methyl ether

64-19-7

acetic acid

1467-05-6

4-ethylbenzylchloride

Conditions
ConditionsYield
at 100℃;
100-41-4

ethylbenzene

7646-78-8

tin(IV) chloride

107-30-2

chloromethyl methyl ether

1467-05-6

4-ethylbenzylchloride

7647-01-0

hydrogenchloride

50-00-0

formaldehyd

100-41-4

ethylbenzene

86119-84-8, 7664-38-2

phosphoric acid

64-19-7

acetic acid

1467-05-6

4-ethylbenzylchloride

7647-01-0

hydrogenchloride

50-00-0

formaldehyd

100-41-4

ethylbenzene

5435-44-9, 22243-66-9

(E)-3-Ureido-but-2-enoic acid ethyl ester

1467-05-6

4-ethylbenzylchloride

7647-01-0

hydrogenchloride

50-00-0

formaldehyd

100-41-4

ethylbenzene

5435-44-9, 22243-66-9

(E)-3-Ureido-but-2-enoic acid ethyl ester

A

1467-05-6

4-ethylbenzylchloride

B

1467-06-7

2-ethylbenzyl chloride

Conditions
ConditionsYield
Product distribution;
7647-01-0

hydrogenchloride

56-23-5

tetrachloromethane

50-00-0

formaldehyd

100-41-4

ethylbenzene

5435-44-9, 22243-66-9

(E)-3-Ureido-but-2-enoic acid ethyl ester

A

1467-05-6

4-ethylbenzylchloride

B

1467-06-7

2-ethylbenzyl chloride

Conditions
ConditionsYield
Product distribution;

4-Ethylbenzyl chloride Specification

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

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