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| CAS No.: | 1585-07-5 |
|---|---|
| Name: | 4-Bromoethylbenzene |
| Article Data: | 120 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H9Br |
| Molecular Weight: | 185.063 |
| Synonyms: | 1-Bromo-4-ethylbenzene;4-Ethyl-1-bromobenzene;4-Ethylphenylbromide;p-Ethylbromobenzene;Benzene,1-bromo-4-ethyl-; |
| EINECS: | 216-439-8 |
| Density: | 1.336 g/cm3 |
| Melting Point: | -43 °C |
| Boiling Point: | 204.6 °C at 760 mmHg |
| Flash Point: | 71.2 °C |
| Solubility: | 23.3 mg/L at 25 °C in water |
| Appearance: | Clear colourless to light yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 23-24/25 |
| Transport Information: | UN 2810 |
| PSA: | 0.00000 |
| LogP: | 3.01150 |
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| Conditions | Yield |
|---|---|
| With C50H57IrN2P; hydrogen In dichloromethane at -78 - 20℃; | 100% |
| With hydrogen In methanol; ethanol at 25℃; under 5171.62 Torr; for 18h; Inert atmosphere; | 99% |
| With 0.42C23H20N4O4*2Cl(1-)*Zn(2+)*10.16H2O*0.58Pd(2+)*0.58C23H20N4O4(1-); hydrogen In tetrahydrofuran at 20℃; under 760.051 Torr; for 1h; | 99% |
- 2039-82-9
1-bromo-4-ethenyl-benzene
- 241147-96-6
2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole
A
- 98-54-4
para-tert-butylphenol
B
- 1585-07-5
1-bromo-4-ethylbenzene
| Conditions | Yield |
|---|---|
| With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 3h; Schlenk technique; | A 99% B 89% |
| Conditions | Yield |
|---|---|
| With hydrogen In hexane at 40℃; under 760.051 Torr; for 6h; | A 97% B 3% |
| With hydrogen; dimethyl sulfoxide In ethyl acetate at 20℃; under 760.051 Torr; for 24h; | A 88 %Spectr. B 9 %Spectr. |
| Conditions | Yield |
|---|---|
| With iron(III) chloride; lithium aluminium tetrahydride; hydrogen In tetrahydrofuran at 18℃; under 750.075 Torr; for 6h; Inert atmosphere; Sealed tube; | A 94% B 12% |
| With palladium 10% on activated carbon; hydrogen In isopropyl alcohol at 50℃; under 4950.5 Torr; |
| Conditions | Yield |
|---|---|
| With gallium(III) triflate; dimethylmonochlorosilane In dichloromethane at 20℃; for 1.5h; | 89% |
| With lithium aluminium tetrahydride; diphosphorus tetraiodide In benzene for 3h; Heating; | 87% |
| With titanium tetrachloride; dimethylamine borane In dichloromethane for 0.5h; Ambient temperature; | 80% |
- 41159-12-0
2-(4-bromophenyl)-2-methyl-1,3-dithiolane
- 1585-07-5
1-bromo-4-ethylbenzene
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; nickel(II) chloride hexahydrate In tetrahydrofuran; methanol at 20℃; for 0.333333h; | 86% |
| Conditions | Yield |
|---|---|
| With oxygen; sodium bromide In dibutyl ether at 45℃; under 760.051 Torr; for 5h; Schlenk technique; | A 83% B 9% |
| With carbon dioxide; bromine at 40℃; under 187519 Torr; for 2h; Supercritical conditions; Green chemistry; | A 64% B 36% |
| With ammonium nitrate; N-Bromosuccinimide In acetonitrile for 8h; | A 53% B 30% |
| Conditions | Yield |
|---|---|
| With indium(III) chloride; diphenylsilyl chloride In dichloromethane at 20℃; for 3h; | 83% |
| With formic acid; methanesulfonic acid; 1,2-bis((di-tert-butylphosphoryl)methyl)benzene; palladium(II) acetylacetonate; 1,2-bis[di(t-butyl)phosphinomethyl]benzene In 1,2-dichloro-ethane at 100℃; for 18h; Schlenk technique; Sealed tube; Inert atmosphere; | 62 %Chromat. |
| Conditions | Yield |
|---|---|
| With sulfuric acid; sodium bromide at 60℃; for 2h; | 81% |
| With sulfur dioxide; bromine; nitric acid; acetic acid Lichtausschluss; | |
| (bromination); | |
| With bromine; iodine; iron |
- 1585-07-5
1-bromo-4-ethylbenzene
| Conditions | Yield |
|---|---|
| With potassium hydroxide In 2,2'-[1,2-ethanediylbis(oxy)]bisethanol at 140℃; for 4h; Wolff-Kishner Reduction; | 76% |
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Chemistry
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IUPAC Name: 1-Bromo-4-ethylbenzene
Canonical SMILES: CCC1=CC=C(C=C1)Br
InChI: InChI=1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
InChIKey: URFPRAHGGBYNPW-UHFFFAOYSA-N
Molecular Weight: 185.06106 [g/mol]
Molecular Formula: C8H9Br
XLogP3: 3.6
H-Bond Donor: 0
H-Bond Acceptor: 0
EINECS: 216-439-8
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives; Halides; Phenyls & Phenyl-Het; Benzene derivates; Bromine Compounds; 4-Alkylbromobenzenes (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; Phenyls & Phenyl-Het; Aryl; C8; Halogenated Hydrocarbons
Stability: Stable. Incompatible with strong oxidizing agents.
Index of Refraction: 1.54
Molar Refractivity: 43.49 cm3
Molar Volume: 138.4 cm3
Surface Tension: 34 dyne/cm
Density: 1.336 g/cm3
Flash Point: 71.2 °C
Enthalpy of Vaporization: 42.29 kJ/mol
Boiling Point: 204.6 °C at 760 mmHg
Vapour Pressure: 0.373 mmHg at 25 °C
Water Solubility: 23.3 mg/L at 25 °C
Appearance: Clear colourless to light yellow liquid
Melting Point of p-Bromoethylbenzene (CAS NO.1585-07-5): -43 °C
Uses
p-Bromoethylbenzene (CAS NO.1585-07-5) is used as an organic reagent and a pharmaceutical intermediate.
Safety Profile
Safety Information of p-Bromoethylbenzene (CAS NO.1585-07-5):
Hazard Codes:Xi 
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:23-24/25
23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
24/25:Avoid contact with skin and eyes
RIDADR:UN 2810
WGK Germany:3
Hazard Note:Irritant
TSCA:T
HS Code:29036990
Specification
p-Bromoethylbenzene (CAS NO.1585-07-5), its Synonyms are 1-Bromo-4-ethylbenzene ; 4-Ethylbromobenzene ; p-Ethylbromobenzene ; Benzene, 1-bromo-4-ethyl- .