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6-PHENOXYHEXYL BROMIDE, also known as 6-phenoxy-1-hexyl bromide, is an organic compound that belongs to the group of alkyl bromides. It is a colorless to pale yellow liquid with a characteristic odor and is recognized as a versatile building block in organic synthesis. This intermediate is commonly used in the production of pharmaceuticals, agricultural chemicals, and other organic compounds. Due to its toxic nature, it is crucial to handle 6-PHENOXYHEXYL BROMIDE with care to avoid skin, eye, and respiratory system irritation.

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  • 51795-97-2 Structure
  • Basic information

    1. Product Name: 6-PHENOXYHEXYL BROMIDE
    2. Synonyms: AURORA KA-3137;1-BROMO-6-PHENOXYHEXANE;6-PHENOXYHEXYL BROMIDE;6-Bromohexyl Phenyl Ether;[(6-bromohexyl)oxy]benzene;((6-Bromohexyl)
    3. CAS NO:51795-97-2
    4. Molecular Formula: C12H17BrO
    5. Molecular Weight: 257.17
    6. EINECS: N/A
    7. Product Categories: Anisoles, Alkyloxy Compounds & Phenylacetates;Bromine Compounds
    8. Mol File: 51795-97-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 320.3°C at 760 mmHg
    3. Flash Point: 126.2°C
    4. Appearance: /
    5. Density: 1.229g/cm3
    6. Vapor Pressure: 0.000602mmHg at 25°C
    7. Refractive Index: 1.522
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 6-PHENOXYHEXYL BROMIDE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 6-PHENOXYHEXYL BROMIDE(51795-97-2)
    12. EPA Substance Registry System: 6-PHENOXYHEXYL BROMIDE(51795-97-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 51795-97-2(Hazardous Substances Data)

51795-97-2 Usage

Uses

Used in Pharmaceutical Industry:
6-PHENOXYHEXYL BROMIDE is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Agricultural Chemical Industry:
6-PHENOXYHEXYL BROMIDE is used as a precursor in the production of agricultural chemicals, contributing to the development of effective pest control agents and other agrochemicals.
Used in Organic Synthesis:
6-PHENOXYHEXYL BROMIDE is used as a versatile building block in organic synthesis for the creation of a wide range of organic compounds, including specialty chemicals and advanced materials.

Check Digit Verification of cas no

The CAS Registry Mumber 51795-97-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,1,7,9 and 5 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 51795-97:
(7*5)+(6*1)+(5*7)+(4*9)+(3*5)+(2*9)+(1*7)=152
152 % 10 = 2
So 51795-97-2 is a valid CAS Registry Number.
InChI:InChI=1/C12H17BrO/c13-10-6-1-2-7-11-14-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2

51795-97-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-PHENOXYHEXYL BROMIDE

1.2 Other means of identification

Product number -
Other names 6-Bromohexyl Phenyl Ether

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:51795-97-2 SDS

51795-97-2Relevant articles and documents

Copper-Catalyzed Alkoxycarbonylation of Alkyl Iodides for the Synthesis of Aliphatic Esters: Hydrogen Makes the Difference

Geng, Hui-Qing,Wu, Xiao-Feng

supporting information, p. 8062 - 8066 (2021/10/25)

A copper-catalyzed alkoxycarbonylation transformation of unactivated alkyl iodides has been developed. Various alkyl iodides can be converted into the corresponding tert-butyl esters in good yields. NaOtBu acts as both a nucleophile and a base. Moreover, other types of aliphatic esters can also be obtained in moderated yields if extra alcohols are added. Both primary and secondary alkyl alcohols can react successfully.

Chemoselective and Site-Selective Lysine-Directed Lysine Modification Enables Single-Site Labeling of Native Proteins

Adusumalli, Srinivasa Rao,Kalra, Neetu,Purushottam, Landa,Rai, Vishal,Rawale, Dattatraya Gautam,Reddy, Neelesh C.,Shukla, Sanjeev,Thakur, Kalyani

supporting information, p. 10332 - 10336 (2020/04/27)

The necessity for precision labeling of proteins emerged during the efforts to understand and regulate their structure and function. It demands selective attachment of tags such as affinity probes, fluorophores, and potent cytotoxins. Here, we report a method that enables single-site labeling of a high-frequency Lys residue in the native proteins. At first, the enabling reagent forms stabilized imines with multiple solvent-accessible Lys residues chemoselectively. These linchpins create the opportunity to regulate the position of a second Lys-selective electrophile connected by a spacer. Consequently, it enables the irreversible single-site labeling of a Lys residue independent of its place in the reactivity order. The user-friendly protocol involves a series of steps to deconvolute and address chemoselectivity, site-selectivity, and modularity. Also, it delivers ordered immobilization and analytically pure probe-tagged proteins. Besides, the methodology provides access to antibody-drug conjugate (ADC), which exhibits highly selective anti-proliferative activity towards HER-2 expressing SKBR-3 breast cancer cells.

CHEMOSELECTIVE SENSITIVITY BOOSTER FOR TAGGING A PEPTIDE, PEPTIDE CONJUGATE, OR SIMILAR REACTIVE MOLECULE

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Page/Page column 41, (2020/12/29)

The invention pertains to chemoselective sensitivity booster for tagging a peptide, peptide conjugate, or similar reactive molecule for analysis of a peptide, protein, antibody, protein bioconjugate, antibody bioconjugate, and similar analytes. The sensitivity booster comprises of sp2 or sp3 nitrogen centers in combination with hydrophobic carbon chains linked with an electrophile or nucleophile for attachment with a peptide, peptide conjugate, or molecules with similar reactivity.

Sensitivity booster for mass detection enables unambiguous analysis of peptides, proteins, antibodies, and protein bioconjugates

Singudas, Rohith,Reddy, Neelesh C.,Rai, Vishal

, p. 9979 - 9982 (2019/08/22)

A chemical tag enhances peptide detection by multiple orders in mass spectrometry. The substantial improvement in the peptide mapping along with simplified and enhanced fragmentation pattern enables the unambiguous sequencing of a protein and antibody. The chemoselective sensitivity booster provides a tool for remarkably improved analysis of protein bioconjugates.

Encapsulating propeller-like columnar liquid crystals with an aromatic outer shell: Influence of phenoxy-terminated side chains on the phase behaviour of triphenylbenzenes

Bader, Korinna,W?hrle, Tobias,?ztürk, Esra,Baro, Angelika,Laschat, Sabine

, p. 6409 - 6414 (2018/08/17)

Tailoring of phase transition temperatures of columnar liquid crystals by side chain variation is often associated with an undesired change in the mesophase type and/or geometry. To overcome this problem phenoxy-terminated side chains rather than alkyl si

Single-Site Labeling of Native Proteins Enabled by a Chemoselective and Site-Selective Chemical Technology

Adusumalli, Srinivasa Rao,Rawale, Dattatraya Gautam,Singh, Usha,Tripathi, Prabhanshu,Paul, Rajesh,Kalra, Neetu,Mishra, Ram Kumar,Shukla, Sanjeev,Rai, Vishal

supporting information, p. 15114 - 15123 (2018/11/10)

Chemical biology research often requires precise covalent attachment of labels to the native proteins. Such methods are sought after to probe, design, and regulate the properties of proteins. At present, this demand is largely unmet due to the lack of empowering chemical technology. Here, we report a chemical platform that enables site-selective labeling of native proteins. Initially, a reversible intermolecular reaction places the "chemical linchpins" globally on all the accessible Lys residues. These linchpins have the capability to drive site-selective covalent labeling of proteins. The linchpin detaches within physiological conditions and capacitates the late-stage installation of various tags. The chemical platform is modular, and the reagent design regulates the site of modification. The linchpin is a multitasking group and facilitates purification of the labeled protein eliminating the requirement of additional chromatography tag. The methodology allows the labeling of a single protein in a mixture of proteins. The precise modification of an accessible residue in protein ensures that their structure remains unaltered. The enzymatic activity of myoglobin, cytochrome C, aldolase, and lysozyme C remains conserved after labeling. Also, the cellular uptake of modified insulin and its downstream signaling process remain unperturbed. The linchpin directed modification (LDM) provides a convenient route for the conjugation of a fluorophore and drug to a Fab and monoclonal antibody. It delivers trastuzumab-doxorubicin and trastuzumab-emtansine conjugates with selective antiproliferative activity toward Her-2 positive SKBR-3 breast cancer cells.

Aldehydes can switch the chemoselectivity of electrophiles in protein labeling

Adusumalli, Srinivasa Rao,Rawale, Dattatraya Gautam,Rai, Vishal

supporting information, p. 9377 - 9381 (2019/01/03)

We show that the chemoselectivity of an electrophile in protein labeling can be promiscuous. An aldehyde enables switching of chemoselectivity of an epoxide and a sulfonate ester along with an enhanced rate of reaction. The chemical technology renders single-site installation of diverse probes on a protein and delivers analytically pure tagged proteins.

2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS

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Page/Page column 77; 78, (2017/02/09)

The invention provides a compound which is a diazine of formula (I) or a tautomer thereof, or a pharmaceutically acceptable salt thereof, for use as an antifungal agent: (I) wherein X, N', C', A and E are as defined herein. The invention also provides a compound of Formula (I) as defined herein.

Zirconium complexes with pendant aryloxy groups attached to the metallocene moiety by ethyl or hexyl spacers

Cho, Won Seok,Kim, So Han,Kim, Da Jung,Mun, Sang-Deok,Kim, Ran,Go, Min Jeong,Park, Myung Hwan,Kim, Min,Lee, Junseong,Kim, Youngjo

, p. 205 - 212 (2013/10/22)

Four zirconium complexes with pendant aryloxy groups attached to the metallocene moiety by ethyl or hexyl spacers have been synthesized and characterized by spectroscopic methods and HR-MS or elemental analysis. The solid state structure of bis[{6-(2,6-dimethylphenoxy)hexyl}cyclopentadienyl] zirconium dichloride was determined by single crystal X-ray diffraction. The prepared complexes were tested as catalyst precursors in the polymerization of ethylene upon activation with MAO. The results showed a marked effect of the spacer length on the catalytic activity, while only a minor effect of the substitution on the aryl group, which affected its steric properties.

1-Phenoxyalkyl-4-[(N,N-disubstitutedamino)alkyl]piperazine derivatives as non-imidazole histamine H3-antagonists

Staszewski, Marek,Walczynski, Krzysztof

, p. 1287 - 1304 (2013/04/10)

In this study, a series of 1-phenoxyalkyl-4-[(N,N-disubstitutedamino)alkyl] piperazine derivatives has been prepared and in vitro tested as H 3-receptor antagonists (electrically evoked contraction of the guinea pig jejunum). All compounds inve

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