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4-Pentylbromobenzene is a chemical compound that is a derivative of Valerophenone (V091450), an aromatic ketone commonly utilized in the study of various photochemical processes. It also serves as an inhibitor for the enzyme carbonyl reductase. 4-Pentylbromobenzene is characterized by its clear pale yellow liquid appearance.

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  • 51554-95-1 Structure
  • Basic information

    1. Product Name: 4-Pentylbromobenzene
    2. Synonyms: p-Bromo-n-pentylbenzene;4-Bromo-1-n-amylbenzene;5PBr;1-Bromo-4-pentylbenzene,97%;4-Pentylbromobenzene,1-Bromo-4-pentylbenzene;4-Pentylbromobenzene 1-Amyl-4-bromobenzene;1-(4-Bromophenyl)pentane;1-Bromo-4-(pent-1-yl)benzene
    3. CAS NO:51554-95-1
    4. Molecular Formula: C11H15Br
    5. Molecular Weight: 227.14
    6. EINECS: 472-220-9
    7. Product Categories: 4-Alkylbromobenzenes (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials
    8. Mol File: 51554-95-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 203-204 °C(lit.)
    3. Flash Point: 192 °F
    4. Appearance: Clear pale yellow liquid
    5. Density: 1.272 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 0.0184mmHg at 25°C
    7. Refractive Index: n20/D 1.5260(lit.)
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
    10. CAS DataBase Reference: 4-Pentylbromobenzene(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-Pentylbromobenzene(51554-95-1)
    12. EPA Substance Registry System: 4-Pentylbromobenzene(51554-95-1)
  • Safety Data

    1. Hazard Codes: Xi,Xn
    2. Statements: 20/21/22-36/37/38
    3. Safety Statements: 24/25-36-26-37/39
    4. RIDADR: NA 1993 / PGIII
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: IRRITANT
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 51554-95-1(Hazardous Substances Data)

51554-95-1 Usage

Uses

Used in Pharmaceutical Research:
4-Pentylbromobenzene is used as a research tool for studying photochemical processes due to its derivative nature from Valerophenone. Its application in this field aids in understanding the behavior of similar compounds and their interactions with biological systems.
Used in Enzyme Inhibition:
As an inhibitor of carbonyl reductase, 4-Pentylbromobenzene plays a role in the pharmaceutical industry for the development of drugs targeting this enzyme, which is involved in various metabolic pathways.
Used in Liquid Crystal Intermediates:
4-Pentylbromobenzene is used as an intermediate in the production of liquid crystals, which are essential components in the manufacturing of display technologies such as LCD screens and other optoelectronic devices.
Used in Chemical Synthesis:
Due to its unique chemical structure, 4-Pentylbromobenzene can be employed as a building block in the synthesis of other complex organic compounds, contributing to the development of new materials and chemicals for various applications across different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 51554-95-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,1,5,5 and 4 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 51554-95:
(7*5)+(6*1)+(5*5)+(4*5)+(3*4)+(2*9)+(1*5)=121
121 % 10 = 1
So 51554-95-1 is a valid CAS Registry Number.
InChI:InChI=1/C11H15Br/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3

51554-95-1 Well-known Company Product Price

  • Brand
  • (Code)Product description
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  • Alfa Aesar

  • (A14457)  1-Bromo-4-n-pentylbenzene, 98%   

  • 51554-95-1

  • 1g

  • 188.0CNY

  • Detail
  • Alfa Aesar

  • (A14457)  1-Bromo-4-n-pentylbenzene, 98%   

  • 51554-95-1

  • 5g

  • 617.0CNY

  • Detail

51554-95-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Pentylbromobenzene

1.2 Other means of identification

Product number -
Other names 1-Amyl-4-bromobenzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:51554-95-1 SDS

51554-95-1Relevant articles and documents

Highly Selective Hydrogenation of C═C Bonds Catalyzed by a Rhodium Hydride

Gu, Yiting,Lisnyak, Vladislav G.,Norton, Jack R.,Salahi, Farbod,Snyder, Scott A.,Zhou, Zhiyao

supporting information, p. 9657 - 9663 (2021/07/19)

Under mild conditions (room temperature, 80 psi of H2) Cp*Rh(2-(2-pyridyl)phenyl)H catalyzes the selective hydrogenation of the C═C bond in α,β-unsaturated carbonyl compounds, including natural product precursors with bulky substituents in the β position and substrates possessing an array of additional functional groups. It also catalyzes the hydrogenation of many isolated double bonds. Mechanistic studies reveal that no radical intermediates are involved, and the catalyst appears to be homogeneous, thereby affording important complementarity to existing protocols for similar hydrogenation processes.

Synthesis method of p-bromo-linear alkylbenzene

-

Paragraph 0035; 0051, (2017/08/25)

The invention belongs to the technical field of fine chemical industry, and in particular discloses a clean and efficient synthetic process technology of p-bromo-linear alkylbenzene. Paradibromobenzene and linear chain 1-haloalkane are added into an organic solvent, and reaction is conducted under the action of a catalyst ferric acetylacetonate and an activating agent consisting of zinc halide and magnesium powder to obtain the p-bromo-linear alkylbenzene. A paradibromobenzene single coupling technology is adopted, so production of ortho/meta isomers which are difficult to separate is avoided from the source; a Grignard reagent, which is instable to water and air, or an expensive boric acid reagent intermediate is not used, so that the production cost is reduced; a one-pot reaction technology is adopted, so that operation is simplified and good industrial application value is achieved.

B(C6F5)3-Catalyzed Hydrodesulfurization Using Hydrosilanes - Metal-Free Reduction of Sulfides

Saito, Kodai,Kondo, Kazumi,Akiyama, Takahiko

, p. 3366 - 3369 (2015/07/15)

B(C6F5)3-catalyzed hydrodesulfurization of carbon-sulfur bonds was achieved using triethylsilane as the reducing agent. The corresponding products were obtained in good yields under mild reaction conditions. This protocol could be applied to the reduction of sulfides, including benzyl and alkyl sulfides and dithianes, with high chemoselectivities. (Chemical Equation Presented).

Discotic liquid crystals of transition metal complexes, 31: Establishment of mesomorphism and thermochromism of bis[1,2-bis(4-n-alkoxyphenyl)ethane-1,2-dithiolene]nickel complexes

Horie,Takagi,Hasebe,Ozawa,Ohta

, p. 1063 - 1071 (2007/10/03)

Two series of bis[1,2-bis(4-n-alkylphenyl)ethane-1,2-dithiolene]nickel, Cn-Ni (n= 1-12), and bis[1,2-bis(4-n-alkoxyphenyl)ethane-1,2-dithiolene]nickel, CnO-Ni(n = 1-12, 14, 16, 18), have been synthesized. Their mesomorphism, thermochromism, supramolecular structures and π-acceptor property have been investigated by using different scanning calorimetry, polarizing microscopy, temperature-dependent X-ray diffraction technique, electronic spectroscopy and cyclic voltammetry. From the X-ray diffraction and electronic spectral results, it was established that the CnO-Ni complexes for n ≤ 10 exhibit two differently colored discotic lamellar (DL) mesophases whereas none of the Cn-Ni complexes has a mesophase, and that the thermochromism (brown→green) is attributable to a slow transformation from the Ni-Ni bonded dimers to the Ni-S bonded dimers.

Alkylation of Aldehyde (Arenesulfonyl)hydrazones with Trialkylboranes

Kabalka, George W.,Maddox, John T.,Bogas, Ekaterini,Kelley, Shane W.

, p. 3688 - 3695 (2007/10/03)

(Arenesulfonyl)hydrazone derivatives of aryl aldehydes are readily alkylated by trialkylboranes in the presence of base to generate new organoboranes that may be converted to the corresponding substituted alkanes or alcohols depending upon the reaction conditions chosen. Both tosyl- and trisylhydrazone derivatives can be utilized in the reaction, which tolerates a variety of functional groups, making it a versatile alternative to both the Grignard and Suzuki-coupling reactions.

P-terphenyl derivatives and liquid crystalline compositions

-

, (2008/06/13)

New p-terphenyl derivatives useful as components for preparing practical ferroelectric liquid crystalline compositions and excellent in chemical stability, as well as liquid crystalline compositions containing at least one of the p-terphenyl derivatives.

Generation of allyl- and benzyllithiums from the corresponding halides by the aid of lithium-tellurium exchange reactions

Kanda, Takahiro,Kato, Shinzi,Sugino, Takushi,Kambe, Nobuaki,Sonoda, Noboru

, p. 71 - 84 (2007/10/02)

A variety of allyl- and benzyllithiums were prepared by lithium-tellurium exchange reactions of allylic and benzylic tellurides generated in situ from the corresponding halides.The produced organolithiums were trapped successfully with electrophiles such as aldehydes, ketones, and trimethylchlorosilane.Benzyllithiums having an alkyl, alkoxy,fluoro, chloro, or cyano substituent(s) on their aromatic ring were generated efficiently in THF.Benzylic tellurides bearing a bromo or iodo substituent afforded a mixture of products under similar conditions arising from the competing lithium-halogen exchange and/or the displacement of the halogen atom with organolithiums used, but they were converted selectively to benzyllithiums in ether without affecting halogen substituents on the benzene ring.Several allyllithiums including dilithioisobutene were generated from allylic halides in a similar way via allylic tellurides.Wurtz-type coupling was negligible in any reactions examined. Key words: Tellurium; Lithium; Allyl; Benzyl; Halide

A Facile Alkylation of Aryl Aldehyde Tosylhydrazone with Trialkylboranes

Kabalka, George W.,Maddox, John T.,Bogas, Ekaterini

, p. 5530 - 5531 (2007/10/02)

Trialkylboranes readily alkylate aryl aldehyde tosylhydrazones to produce either the corresponding arylalkane or aryl alcohol in excellent yields.

The Synthesis and Transition Temperatures of Some 4,4"-dialkyl- and 4,4"-Alkoxyalkyl-1,1':4',1"-terphenyls with 2,3- or 2',3'-difluoro Substituents and of their Biphenyl Analogues

Gray, George W.,Hird, Michael,Lacey, David,Toyne, Kenneth J.

, p. 2041 - 2054 (2007/10/02)

The tetrakis(triphenylphosphine)palladium(o)-catalysed coupling of arylboronyc acids with aryl halides is used to prepare several 4,4"-dialkyl- and 4,4"-alkoxyalkyl-1,1':4',1"-terphenyls with 2,3- or 2',3'-difluoro substituents and their related biphenyl systems.Lithiation ortho to a 1,2-difluoroaromatic unit provides the route to the 2,3-difluoroarylboronic acids.The 2,3-difluoro substituted terphenyls are low-melting liquid crystals with wide-range Sc phases and no underlying smectic phase; these compounds are excellent hosts for ferroelectric systems.The compounds with widest Sc ranges are those with the difluoro substituents in an end ring and the compounds with difluoro substituents in the central ring show more nematic character and so are useful for ECB devices.

FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS

-

, (2008/06/13)

This invention relates to fluorinated oligophenyls of formula (I), in which a is 0 or 1 and in which the terminal sub-stituents R1, R2 and R3 are each independently an alkyl or alkenyl residue each with up to 15 C atoms, optionally substitut-ed by CN or by at least one halogen atom, and wherein one or more non adjacent CH2 groups of these residues may be replaced by -O-, -S-, -CO-, -O-CO-, -CO-O-, -O-CO-O- or -C≡C-, one of the residues R1 and R2 may also denote a group of formula (II), any one of the following pairs of lateral substituents are both fluorine: (A, B), (C, D), (D, E), (C, E), (B, C), (D, J), (D, K), (A, C), (C, J), (C?, D?), (D?, E), (D?, A), (C?, E), (C?, A), (D?, J?), (D?, K?), (C?, J?), (B, G), (A, G), all of the other lateral substituents being hydrogen or fluorine, and to their use as components of liquid crystalline compositions.

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