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3-Fluorobenzyl bromide is a substituted benzyl bromide, a type of organic compound characterized by the presence of a bromine atom attached to a benzyl group. 3-Fluorobenzyl bromide is known for its reactivity and is commonly used in the synthesis of various biologically active molecules.

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  • 456-41-7 Structure
  • Basic information

    1. Product Name: 3-Fluorobenzyl bromide
    2. Synonyms: ALPHA-BROMO-M-FLUOROTOLUENE;ALPHA-BROMO-3-FLUOROTOLUENE;3-FLUOROBENZYL BROMIDE;M-FLUOROBENZYL BROMIDE;1-(bromomethyl)-3-fluoro-benzen;1-(Bromomethyl)-3-fluorobenzene;Benzene, 1-(bromomethyl)-3-fluoro-;meta-Fluorobenzyl bromide
    3. CAS NO:456-41-7
    4. Molecular Formula: C7H6BrF
    5. Molecular Weight: 189.02
    6. EINECS: 207-263-2
    7. Product Categories: Fluoro-contained benzyl bromide series;Fluorobenzene;Benzyl;Fluorinated benzene series
    8. Mol File: 456-41-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 88 °C20 mm Hg(lit.)
    3. Flash Point: 143 °F
    4. Appearance: Clear colorless to yellow/Liquid
    5. Density: 1.541 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 0.548mmHg at 25°C
    7. Refractive Index: n20/D 1.546(lit.)
    8. Storage Temp.: 0-6°C
    9. Solubility: N/A
    10. Sensitive: Lachrymatory
    11. BRN: 636503
    12. CAS DataBase Reference: 3-Fluorobenzyl bromide(CAS DataBase Reference)
    13. NIST Chemistry Reference: 3-Fluorobenzyl bromide(456-41-7)
    14. EPA Substance Registry System: 3-Fluorobenzyl bromide(456-41-7)
  • Safety Data

    1. Hazard Codes: C
    2. Statements: 34-36/37
    3. Safety Statements: 23-26-27-36/37/39-45
    4. RIDADR: UN 3265 8/PG 2
    5. WGK Germany: 3
    6. RTECS:
    7. TSCA: T
    8. HazardClass: 8
    9. PackingGroup: III
    10. Hazardous Substances Data: 456-41-7(Hazardous Substances Data)

456-41-7 Usage

Uses

Used in Pharmaceutical Industry:
3-Fluorobenzyl bromide is used as a reagent for the preparation of a wide range of biologically active compounds, making it a valuable component in the development of new medications.
Used in Anticancer Applications:
3-Fluorobenzyl bromide is utilized in the synthesis of anti-cancer agents, contributing to the development of drugs that target and combat cancer cells.
Used in Antiviral Applications:
3-Fluorobenzyl bromide is also employed in the creation of anti-viral medications, playing a role in the fight against viral infections and the diseases they cause.
Used in Antidiabetic Applications:
3-Fluorobenzyl bromide is used in the preparation of antidiabetic drugs, aiding in the development of treatments for diabetes and its associated complications.

Check Digit Verification of cas no

The CAS Registry Mumber 456-41-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,5 and 6 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 456-41:
(5*4)+(4*5)+(3*6)+(2*4)+(1*1)=67
67 % 10 = 7
So 456-41-7 is a valid CAS Registry Number.
InChI:InChI=1/C7H6BrF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

456-41-7 Well-known Company Product Price

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  • (Code)Product description
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  • Detail
  • Alfa Aesar

  • (A15446)  3-Fluorobenzyl bromide, 98%   

  • 456-41-7

  • 5g

  • 209.0CNY

  • Detail
  • Alfa Aesar

  • (A15446)  3-Fluorobenzyl bromide, 98%   

  • 456-41-7

  • 25g

  • 832.0CNY

  • Detail
  • Alfa Aesar

  • (A15446)  3-Fluorobenzyl bromide, 98%   

  • 456-41-7

  • 50g

  • 1385.0CNY

  • Detail

456-41-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Fluorobenzyl bromide

1.2 Other means of identification

Product number -
Other names Benzene, 1-(bromomethyl)-3-fluoro-

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:456-41-7 SDS

456-41-7Relevant articles and documents

Synthesis, Docking, and Biological activities of novel Metacetamol embedded [1,2,3]-triazole derivatives

Battu, Satyanarayana,Joolakanti, Hima Bindhu,Kamepalli, Ramanjaneyulu,Miryala, Jeevanreddy

, (2021/06/18)

ERα controls the breast tissue development and progression of breast cancer. In our search for novel compounds to target Estrogen Receptor Alpha Ligand-Binding Domain, we identified “N-(3-((1H-1,2,3-triazol-4-yl)methoxy)phenyl)acetamide” derivatives as lead compounds. The Docking studies indicated good docking score for Metacetamol derivatives when docked into the 1XP6. A series of metacetamol derivatives have been synthesized, characterized and evaluated for cytotoxicity, anti bacterial and anti oxidant activities. Among the tested twelve hybrid compounds, “7a, 7g, 7h and 7i” derivatives showed promising cytotoxicity with IC50 value of 50 value of 30 μM, whereas Compounds “7a, 7b, 7c, 7d, 7g, 7j, 7k and 7l” showed moderate anti bacterial activity with the MIC value of 300 μM.

Synthesis and biological evaluation of curcumin inspired indole analogues as tubulin polymerization inhibitors

Sri Ramya,Angapelly, Srinivas,Guntuku, Lalita,Singh Digwal, Chander,Nagendra Babu, Bathini,Naidu,Kamal, Ahmed

, p. 100 - 114 (2016/12/30)

In our endeavour towards the development of potent cytotoxic agents, a series of some new curcumin inspired indole analogues, in which indole and phenyl moieties are linked on either sides of 1,5-diaryl-1,4-pentadien-3-one system have been synthesized and characterized by spectral data. All the newly synthesized analogues were tested for their cytotoxic potential against a panel of eight cancer cell lines namely, lung (A549), breast (MDA-MB-231, BT549 and 4T1), prostate (PC-3, DU145), gastric (HGC-27) and cervical (HeLa). Notably, among all the compounds tested, compounds 11c, 11d and 11f showed potent growth inhibition on PC-3 and BT549 with IC50values in the range of 3.12–6.34?μM and 4.69–8.72?μM respectively. The most active compound (11c) was also tested on RWPE-1 (normal prostate) cells and was found to be safe compared to the PC-3?cells. In tubulin polymerization assay, compounds 11c and 11f effectively inhibited microtubule assembly with IC50values of 10.21?±?0.10 and 8.83?±?0.06?μM respectively. The results from molecular modelling studies revealed that these compounds bind at the colchicine binding site of the tubulin. Moreover, DAPI and acridine orange/ethidium bromide staining studies indicated that compounds 11c and 11f can induce apoptosis in PC-3?cells. Further flow-cytometry analysis revealed that compound 11c arrests PC-3?cells in G2/M phase of the cell cycle while compound 11f treatment resulted in moderate increase in the G2/M population. Additionally, the treatment by these compounds led to the impairment of mitochondrial membrane potential (DΨm) in PC-3?cells.

One-Step Synthesis of Substituted Benzofurans from ortho- Alkenylphenols via Palladium-Catalyzed C=H Functionalization

Yang, Dejun,Zhu, Yifei,Yang, Na,Jiang, Qiangqiang,Liu, Renhua

supporting information, p. 1731 - 1735 (2016/06/09)

A dehydrogenative oxygenation of C(sp2)=H bonds with intramolecular phenolic hydroxy groups has been developed, which provides a straightforward and concise access to structurally diversely benzofurans from ortho-alkenylphenols. The reaction is catalyzed by palladium on carbon (Pd/C) without any oxidants and sacrificing hydrogen acceptors.

Visible-light-promoted Wohl-Ziegler functionalization of organic molecules with N-bromosuccinimide under solvent-free reaction conditions

Jereb, Marjan,Zupan, Marko,Stavber, Stojan

scheme or table, p. 555 - 566 (2009/09/06)

The visible-light-induced transformation of toluenes with N-bromosuccinimide (NBS) under solvent-free reaction conditions (SFRC) was studied. The reaction took place in spite of the very restricted molecular motion; toluenes could be regioselectively converted to benzyl bromides. Selective radical-chain reactions with NBS were carried out in liquid/liquid and in solid/solid systems; furthermore, reactions could be performed in the presence of air. The radical scavenger TEMPO (=2,2,6,6-tetramethylpiperidin-1- yloxy) completely suppressed the side-chain bromination of toluenes with NBS under SFRC. Electron-withdrawing groups decreased the reactivity of the toluenes, and the Hammett reaction constant ρ+ = -1.7 indicated involvement of polar radical intermediates with electrophilic character.

Fluorobenzamides and uses thereof

-

, (2008/06/13)

The invention relates to fluorobenzamide derivatives of the formula wherein R1, R2, R3 R4, R5, R6 and R7 are as defined herein. =, The compounds of the invention are selective monoamine oxidase B inhibitors and therefore they are suitable for the treatment of diseases mediated by monoamine oxidase B, such as Alzheimer's disease or senile dementia.

Mass spectrometric investigations on phenylacetic acid derivatives, IV: Loss of ortho-substituents from ionized phenyl-2-propanones upon electron impact

Striegel,Mayer,Wiegrebe,Schlunegger,Siegrist,Aebi

, p. 751 - 760 (2007/10/02)

In the gas phase, the phenyl-2-propanone molecules 2a-4a lose upon electron impact chloro-, bromo-, and iodo-radicals specifically at the orthopOsition of the phenyl group giving rise to strong (M-Hal.)+-ions (70/12 eV; 1st and 2nd FFR) of identical structure as confirmed by their MIKE-CAD-spectra. The daughter ions at m/z 133 from o-chlorophenyl-2-propanone (2a) and 2,2-dimethyl-2,3-dihydro[b]furane (11) are structurally similar but not identical (similarity index 99.8). The collisionally activated (2nd FFR) (M-Br.)+-ions from o-bromophenyl-2-propanone (3a) and 1-bromo-1-phenyl-2-propanone (12) produce virtually congruent spectra. The most impOrtant subsequent fragmentation of the (M-Hal-)+-ions from 2a-4a is the loss of CO which incorporates the C-atom of the carbonyl group exclusively (13C labelling). Mechanistic aspects of the fragmentation sequences are discussed (Figs. 5 and 8).

ORGANIC PHOSPHORUS COMPOUNDS 91. SYNTHESIS AND PROPERTIES OF 1-AMINO-2-ARYLETHYLPHOSPHONIC AND -PHOSPHINIC ACIDS AS WELL AS -PHOSPHINE OXIDES

Maier, Ludwig

, p. 43 - 67 (2007/10/02)

The preparation, physical and spectroscopic properties of 1-amino-2-arylethylphosphonic, and -phosphinic acids as well as -phosphine oxides, the phosphorus analogues of phenylalanine are described, and the reactions of 1-amino-2-(4-fluorophenyl)ethylphosphonates with acetals, isocyanides, esters, acid anhydrides, activated aromatic nitro- and halogen compounds, and with N-protected alanine are reported.It is shown that several of the 1-amino-2-arylethylphosphonic acids are strong inhibitors of PAL and anthocyanin synthesis and also are quite active botryticides.Among the active compounds were 1-amino-2-(4-fluorophenyl)ethylphosphonic acid, 3f, and the methyl-substituted compounds 3k, 3l, and 3m.The fluoroderivative 3f was also effective as a seed-dressing agent in barley showing a 100percent protection against the fungus Fusarium nivale at 600 ppm.

MECHANISMS OF FREE-RADICAL REACTIONS. XX. REACTIVITY IN THE FREE-RADICAL HALOGENATION REACTIONS OF ARYLFLUOROALKANES

Dneprovskii, A. S.,Eliseenkov, E. V.

, p. 711 - 719 (2007/10/02)

The free-radical chlorination and bromination of meta- and para-substituted benzyl fluorides and 1,1-difluoro-2-phenylethane and also the chlorination of 1-fluoro-2-arylethanes by phenylchloroiodonium chloride and the bromination of meta- and para-substituted benzyl bromides were studied by the method of competing reactions.In all cases a good correlation is observed between log krel and the Brown ?+ constants.In cases where change in the reactivity in the transition from one reaction series to another is due mainly to the polar effect of the substituent whilethe selectivity is measured in relation to the polar effect direct relationships are observed between the reactivity and the selectivity.

Carbon-Halogen Bonding Studies. Halogen Redistribution Reactions between Alkyl or Acetyl Halides and Tri-n-butyltin Halides

Friedrich, Edwin C.,Abma, Charles B.

, p. 1367 - 1371 (2007/10/02)

The equilibrium positions have been determined for the halogen redistribution reactions of tri-n-butyltin halides with a variety of structurally different types of alkyl halides and with acetyl halides.These have been related through the reaction ΔGo values to carbon-halogen bond dissociation energy differences.It is suggested that the trends observed in the latter may provide evidence for the existence of a small steric bond weakening effect in the order C-I > C-Br > C-Cl bonds on going from methyl to primary, secondary, and tertiary alkyl halides.On the other hand, with the 2,3-? bond containing allyl, benzyl, and propargyl halides , α-haloacetones, and haloacetonitriles, there may be some type of electronic carbon-halogen bond strengthening effect which lies in order C-I > C-Br > C-Cl.Finally, for the acetyl halides, the data are in agreement with increases in bond strengths resulting from ? contributions being in the order C-Cl > C-Br > C-I.

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