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Cas Database |
| Name |
1,4-Diethylbenzene |
EINECS | 203-265-2 |
| CAS No. | 105-05-5 | Density | 0.865 g/cm3 |
| PSA | 0.00000 | LogP | 2.81140 |
| Solubility | It is insoluble in water. But soluble in ethanol, benzene,carbon tetrachloride. | Melting Point |
-43 °C |
| Formula | C10H14 | Boiling Point | 183.1 °C at 760 mmHg |
| Molecular Weight | 134.221 | Flash Point | 56.7 °C |
| Transport Information | UN 2049 3/PG 3 | Appearance | clear colorless liquid |
| Safety | 26-36 | Risk Codes | 10-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Benzene,p-diethyl- (8CI);p-Xylene, a,a'-dimethyl- (7CI);p-Diethylbenzene;p-Ethylethylbenzene; |
Article Data | 96 |
1,4-Diethylbenzene Synthetic route
| Conditions | Yield |
|---|---|
| With triethylsilane; indium(III) bromide In chloroform at 60℃; for 1h; Inert atmosphere; | 99% |
| With hydrogen; palladium on activated charcoal In methanol at 20℃; for 24h; | 72% |
| With hydrogen In 1,3,5-trimethyl-benzene at 175℃; under 37503.8 Torr; for 16h; Autoclave; |
| Conditions | Yield |
|---|---|
| With zeolite H-beta In tetrahydrofuran at 249.84℃; under 20686.5 Torr; for 18h; Reagent/catalyst; | 99% |
- 105-05-5
1,4-diethylbenzene
| Conditions | Yield |
|---|---|
| With chlorosulfonic acid In dichloromethane at 0℃; regioselective reaction; | 85% |
| With lead(IV) tetraacetate; lithium chloride In chloroform for 3h; Reflux; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; hydrogen; palladium on activated charcoal In ethanol at 50℃; under 3102.97 Torr; | 77% |
| With hydrogenchloride; amalgamated zinc | |
| With nickel at 260 - 280℃; durch Hydrogenolyse; |
- 67-56-1
methanol
- 36262-33-6
dispiro<2.2.2.2>deca-4,9-diene
A
- 105-05-5
1,4-diethylbenzene
B
- 105786-55-8
1-Ethyl-4-(2-methoxyethyl)benzol
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal | A n/a B 50% |
- 425-75-2
trifluoromethanesulfonic acid ethyl ester
- 71-43-2
benzene
A
- 100-41-4
ethylbenzene
B
- 105-05-5
1,4-diethylbenzene
C
- 253185-02-3
ortho-diethylbenzene
| Conditions | Yield |
|---|---|
| for 2h; Heating; Yields of byproduct given; | A 30% B n/a C n/a |
| for 2h; Heating; Yield given; | A 30% B n/a C n/a |
- 17429-36-6
4-methyl-4-phenylcyclohex-2-enone
A
- 620-14-4
1-Methyl-3-ethylbenzene
B
- 611-14-3
2-Ethyltoluene
C
- 141-93-5
m-diethylbenzene
D
- 105-05-5
1,4-diethylbenzene
E
- 253185-02-3
ortho-diethylbenzene
F
- 933-98-2
3-ethyl-o-xylene
| Conditions | Yield |
|---|---|
| With chloranil Product distribution; 1.) 510 deg C, 12 Torr; 2.) benzene, reflux, 20 h; other conditions investigated; | A 1.2% B 0.2% C 1.5% D 1.3% E 10% F 19% |
| Conditions | Yield |
|---|---|
| With mesoporous graphitic C3N4 at 150℃; for 24h; Friedel-Crafts reaction; | 18% |
| Conditions | Yield |
|---|---|
| With [NiNPtBu3]4; phenylsilane In tetrahydrofuran at 60℃; for 16h; Sealed tube; | A 10% B 16% C n/a |
- 17429-36-6
4-methyl-4-phenylcyclohex-2-enone
A
- 95-47-6
o-xylene
B
- 620-14-4
1-Methyl-3-ethylbenzene
C
- 611-14-3
2-Ethyltoluene
D
- 100-41-4
ethylbenzene
E
- 141-93-5
m-diethylbenzene
F
- 105-05-5
1,4-diethylbenzene
| Conditions | Yield |
|---|---|
| With chloranil Product distribution; 1.) 510 deg C, 12 Torr; 2.) benzene, reflux, 20 h; other conditions investigated; | A 0.5% B 1.2% C 0.2% D 12% E 1.5% F 1.3% |
1,4-Diethylbenzene Specification
The Benzene, 1,4-diethyl-, with CAS registry number 105-05-5, belongs to the following product categories: (1)Industrial/Fine Chemicals; (2)Aromatic Ketones (substituted); (3)Alpha Sort; (4)Analytical Standards; (5)AromaticsVolatiles/ Semivolatiles; (6)Chemical Class; (7)D; (8)DAlphabetic; (9)DID - DINChemical Class; (10)Hydrocarbons; (11)Neats; (12)Arenes; (13)Building Blocks; (14)Organic Building Blocks. It has the systematic name of 1,4-diethylbenzene. The main use of this chemical is for solvent and organic synthesis.
Physical properties of Benzene, 1,4-diethyl-: (1)ACD/LogP: 4.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.2; (4)ACD/LogD (pH 7.4): 4.2; (5)ACD/BCF (pH 5.5): 918.05; (6)ACD/BCF (pH 7.4): 918.05; (7)ACD/KOC (pH 5.5): 4596.41; (8)ACD/KOC (pH 7.4): 4596.41; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 45.35 cm3; (15)Molar Volume: 155 cm3; (16)Polarizability: 17.97×10-24cm3; (17)Surface Tension: 29.1 dyne/cm; (18)Density: 0.865 g/cm3; (19)Flash Point: 56.7 °C; (20)Enthalpy of Vaporization: 40.22 kJ/mol; (21)Boiling Point: 183.1 °C at 760 mmHg; (22)Vapour Pressure: 1.07 mmHg at 25°C.
Preparation: this chemical can be prepared by Ethanone, 1,1'-(1,4-phenylene)bis-. This reaction will need reagent H2 and solvent methanol. The reaction time is 24 hour(s) with reaction temperature of 20 ℃. The yield is about 72%.
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Uses of Benzene, 1,4-diethyl-: it can be used to produce 1,4-diethyl-2,5-diiodo-benzene. This reaction will need reagents I2, H5IO6. The yield is about 100%.
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When you are using this chemical, please be cautious about it as the following:
The Benzene, 1,4-diethyl- irritates to eyes, respiratory system and skin. And this chemical is flammable. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1CC)CC
(2)InChI: InChI=1/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
(3)InChIKey: DSNHSQKRULAAEI-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
(5)Std. InChIKey: DSNHSQKRULAAEI-UHFFFAOYSA-N
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