ChemicalBook--->CAS DataBase List--->588-93-2

588-93-2

588-93-2 Structure

588-93-2 Structure
IdentificationMore
[Name]

1-Bromo-4-propylbenzene
[CAS]

588-93-2
[Synonyms]

1-(4'-BROMOPHENYL)PROPANE
1-BROMO-4-N-PROPYLBENZENE
1-BROMO-4-PROPYLBENZENE
4-BROMO-N-PROPYLBENZENE
4-BROMO PROPYLBENZENE
P-BROMOPROPYLBENZENE
1-Brom-4-propylbenzol
4-Propyl-1-bromobenzene
benzene,1-bromo-4-propyl-
4-Bromo-N-Pentylbenzene,5PbrC11H13Br
1-BROMO-4-PROPYLBENZENE/4-BROMOPROPYLBENZENE
1-BROMO-4-PROPYLBENZENE 99%
4-propyl bromobenzene
p-Bromo-n-propylbenzene
1-Propyl-4-bromobenzene
4-Propylphenyl bromide
[EINECS(EC#)]

454-790-0
[Molecular Formula]

C9H11Br
[MDL Number]

MFCD00012456
[Molecular Weight]

199.09
[MOL File]

588-93-2.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless to slightly yellow liquid
[Melting point ]

-41.4°C
[Boiling point ]

225 °C(lit.)
[density ]

1.286 g/mL at 25 °C(lit.)
[vapor pressure ]

4.7Pa at 25℃
[refractive index ]

n20/D 1.537(lit.)
[Fp ]

203 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Liquid
[color ]

Clear colorless to slightly yellow
[Specific Gravity]

1.286
[Water Solubility ]

2.867mg/L at 20℃
[Usage]

Intermediates of Liquid Crystals
[InChI]

InChI=1S/C9H11Br/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3
[InChIKey]

NUPWGLKBGVNSJX-UHFFFAOYSA-N
[SMILES]

C1(Br)=CC=C(CCC)C=C1
[LogP]

4.9 at 25℃
[CAS DataBase Reference]

588-93-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Environment (GHS09)
GHS05,GHS09
[Signal word ]

Danger
[Hazard statements ]

H315-H318-H410
[Precautionary statements ]

P264-P273-P280-P302+P352-P305+P351+P338-P332+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[REACH Registrations]

Active
[HS Code ]

29036990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Irrit. 2
Hazard InformationBack Directory
[Description]

1-Bromo-4-propylbenzene is an aliphatic hydrocarbon compound containing a bromine functional group in its structure. This feature is crucial for its role in chemical reactions for synthesising other complex structures. 1-Bromo-4-propylbenzene can be used to prepare cyclopalladium catalysts.
[Chemical Properties]

Clear colorless to slightly yellow liquid
[Uses]

Intermediates of Liquid Crystals
[Flammability and Explosibility]

Notclassified
[Synthesis]

1,4-Dibromobenzene

106-37-6

1-Bromopropane

106-94-5

1-Bromo-4-propylbenzene

588-93-2

General procedure: 236 g of 1,4-dibromobenzene, 185 g of bromopropane and 1 liter of anhydrous tetrahydrofuran were added to a 2-liter three-neck flask under nitrogen protection. Subsequently, 204 g of zinc chloride, 36 g of magnesium powder and 18 g of iron acetylacetonate were added as catalyst. The reaction mixture was heated to about 40°C under stirring conditions and the reaction started immediately. The reaction temperature was maintained at no more than 60°C for 8 hours. Upon completion of the reaction, the mixture was cooled to room temperature and the reaction was quenched by the addition of 200 ml of water. The tetrahydrofuran solvent was recovered by distillation and the residue was diluted with 500 mL of toluene. The toluene layer was separated, washed twice sequentially with 200 mL of saturated brine and dried over anhydrous sodium sulfate. The dried solution was filtered and the filtrate recovered toluene by distillation. Finally, the 94-97 °C/10 mmHg fraction was collected by vacuum distillation to give 170 g of 4-propylbromobenzene in 85% yield.

[References]

[1] Patent: CN106278811, 2017, A. Location in patent: Paragraph 0035-0047
Spectrum DetailBack Directory
[Spectrum Detail]

1-Bromo-4-propylbenzene(588-93-2)MS
1-Bromo-4-propylbenzene(588-93-2)1HNMR
1-Bromo-4-propylbenzene(588-93-2)13CNMR
1-Bromo-4-propylbenzene(588-93-2)IR1
1-Bromo-4-propylbenzene(588-93-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Bromo-4-propylbenzene, 99%(588-93-2)
[Alfa Aesar]

1-Bromo-4-n-propylbenzene, 99%(588-93-2)
[Sigma Aldrich]

588-93-2(sigmaaldrich)
[TCI AMERICA]

1-Bromo-4-propylbenzene,>96.0%(GC)(588-93-2)
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