2-Amino-3-bromo-5-fluoropyridine (869557-43-7)

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Description

2-Amino-3-bromo-5-fluoropyridine (869557-43-7) video

2-amino-5-fluoropyridinium,tetrachlorocuprate was synthesized and characterized structurally and magnetically. While the data may be modeled as a strong-rung ladder, computation studies show the compound to be 3D-antiferromagnetic with a singlet ground state.

Reaction of CuCl2 with 2-amino-5-fluoropyridine and HCl in aqueous solution yields bis(2-amino-5-fluoropyridinium) tetrachlorocuprate(II), (5FAP)2CuCl4, (1). The complex crystallizes in the monoclinic space group P21/c with cell dimensions a = 6.926(7) Å, b = 21.73(2) Å, c = 10.911(10) Å, β = 100.19(2)°, V = 1616(3) Å3, and R1 = 0.0424 based on 2640 independent reflections. The crystal packing shows that each tetrachlorocuprate ion has four nearest-neighbor Cu(II) ions through three types of Cu−Cl···Cl−Cu potential magnetic interactions:  one short Cl···Cl distance (d1 = 3.657 Å) and two longer Cl···Cl distances (d2 = 4.073 Å) that form a layered distorted honeycomb structure. The third nearest neighbor (d3 = 4.239 Å) links these layers into a three-dimensional structure. Both powder and single-crystal magnetic susceptibility measurements on 1, over the temperature range of 1.8−325 K, show significant antiferromagnetic interactions. Attempts to analyze the data using a variety of models showed a best fit to the strong-rung ladder model, with 2Jrung = −17.170(14) and 2Jrail = −5.94(5) K [−11.92(1) and −4.13(3) cm-1, respectively] for the powder, although a comparable result is obtained using an alternate chain model. However, neither of these two models is compatible with a layered distorted honeycomb crystal packing structure. A first-principles bottom-up theoretical study using the 165 K crystallographic data reproduces the macroscopic properties and reveals that at low temperature the crystal has a 3D magnetic topology (all three magnetic pathways are significant) and a singlet ground state.

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2-Amino-3-bromo-5-fluoropyridine (869557-43-7) Specifications

CAS 869557-43-7
CAS Min % 95%
CAS Max % 100%
MDL Number MFCD03092924
InChI Key KXSQMCRVUAALNE-UHFFFAOYSA-N
Chemical Name or Material 2-Amino-3-bromo-5-fluoropyridine
Infrared Spectrum Authentic
Physical Form powder
Packaging Glass bottle
Molecular Formula C5H4BrFN2
Molecular Weight (g/mol) 191.00
SMILES FC1=CN=C(N)C(Br)=C1
Color white
Melting Point 61-63°C
Assay 97%

 

2-Amino-3-bromo-5-fluoropyridine (869557-43-7) Safety and HandlingAPICMO hazard icons

 (869557-43-7) GHS H Statement

  • Harmful if swallowed
  • Causes skin irritation.
  • Causes serious eye damage
  • May cause respiratory irritation.

2-Amino-3-bromo-5-fluoropyridine GHS P Statement

  • Avoid breathing dust/fume/gas/mist/vapors/spray.
  • Wear protective gloves/protective clothing/eye protection/face protection.
  • IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • In case of skin contact: Wash off with soap and plenty of water. Consult a physician.
  • If swallowed: Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician
  • Store locked up.

WARNING: The information provided on this web site was developed in compliance with European Union (EU) regulations and is correct to the best of our knowledge, information and belief at the date of its publication. The information given is designed only as a guide for safe handling and use. It is not to be considered as either a warranty or quality specification.

2-Amino-3-bromo-5-fluoropyridine (869557-43-7) Articles

8-tetrahydropyran-2-yl chromans: Highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors

A series of 2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromene analogs was developed that demonstrated high selectivity (>2000-fold) for BACE1 vs Cathepsin D (CatD). Three different Asp-binding moieties were examined: spirocyclic acyl guanidines, aminooxazolines, and aminothiazolines in order to modulate potency, selectivity, efflux, and permeability.

Journal of Medicinal Chemistry 2014 vol. 57 # 23 p. 10112 – 10129

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1 review for 2-Amino-3-bromo-5-fluoropyridine (869557-43-7)

  1. APICMO

    Everybody aims at having a hassle-free shopping experience that can help them save both time and money. At APICMO we not only assure you of an easy one but a convenient one too. We are a pharmaceutical manufacturing company that synthesizes 2-Amino-3-bromo-5-fluoropyridine (869557-43-7) among other chemical products. All our products conform to the Common Good Manufacturing Practice (CGMP) and other manufacturing regulations. Order from us today and experience our exceptional service.

    2-Amino-3-bromo-5-fluoropyridine (869557-43-7) Chemical Structure

    2-Amino-3-bromo-5-fluoropyridine (869557-43-7)

    2-Amino-3-bromo-5-fluoropyridine (869557-43-7) Synthesis Route

    2-Amino-3-bromo-5-fluoropyridine (869557-43-7)

    2-Amino-3-bromo-5-fluoropyridine (869557-43-7) Downstream and Precursor Products

    PRECURSOR

    2-Amino-3-bromo-5-fluoropyridine (869557-43-7)

    DOWNSTREAM PRODUCTS

    2-Amino-3-bromo-5-fluoropyridine (869557-43-7)

     2-Amino-3-bromo-5-fluoropyridine (869557-43-7) Synonyms

    • 2-Amino-3-bromo-5-fluoropyridine
    • 869557-43-7
    • 3-bromo-5-fluoropyridin-2-amine
    • 2-amino-5-fluoro-3-bromopyridine
    • 3-bromo-5-fluoro-pyridin-2-ylamine
    • 3-BROMO-5-FLUORO-2-PYRIDINAMINE
    • 2-PYRIDINAMINE, 3-BROMO-5-FLUORO-
    • 3-bromo-5-fluoro-2-pyridylamine

    2-Amino-3-bromo-5-fluoropyridine (869557-43-7) Product Specifications

    Purity 98%
    Physical State Powder
    Monoisotopic Mass 189.954
    Molecular Weight g/mol 191.003
    Molecular Formula C5H4BrFN2
    Melting Point ˚c 61-63
    IUPAC Name 3-bromo-5-fluoropyridin-2-amine
    Density 1.813 g/cm^3
    Chemical Name 2-Amino-3-bromo-5-fluoropyridine
    Boiling Point ˚c 63-65
    CAS no 869557-43-7
    Flash Point ˚c 86.8

     2-Amino-3-bromo-5-fluoropyridine (869557-43-7) Physical and Chemical Properties

    APPEARANCE

    It is a crystal powder that is off-white.

    BONDING

    Hydrogen Bond Donor-1
    Acceptor-3
    Rotatable Bond 0
    Covalent Bond 1

    STABILITY

    2-Amino-3-bromo-5-fluoropyridine (869557-43-7) is stable under normal conditions. Under high temperatures it decomposes to produce; Hydrogen chloride gas, nitrogen oxides (NOx), Carbon dioxide, Hydrogen fluoride, Carbon monoxide, and Hydrogen bromide.

    2-Amino-3-bromo-5-fluoropyridine (869557-43-7) Computed Properties

    PROPERTY NAME PROPERTY VALUE
    Isotope Atom Count 0
    Undefined Bond Stereocenter Count 0
    Defined Bond Stereocenter Count 0
    Undefined Atom Stereocenter Count 0
    Defined Atom Stereocenter Count 0
    Heavy Atom count 9
    Formal Charge 0
    Compound Is Canonicalized True
    XLogP3-AA 1.3
    Exact Mass 189.954
    Topological Polar Surface Area 38.9 A^2
    Complexity 101
    CACTVS Substructure Key Fingerprint AAADcYBjAQAAEAAAAAAAAAAAAAAAAA
    AAAAAsAAAAAAAAAAABgAAAHQBQAAA
    BqADBEgw9sJJIEACgADJnZACCgCkxACQA
    2CAoRLiIIOLAkZGEIAhggALIyjYQAAAAAAA
    AAAAAAAAAAAAAAAAAAAAAAAAAAA==

    Hazards associated with 2-Amino-3-bromo-5-fluoropyridine (869557-43-7)

    • It may be harmful if swallowed. This chemical product may lead to vomiting, nausea and stomach pain/discomfort.
    • It causes skin irritation. Its symptoms may be skin rashes, burning or skin reddening, and formation of blisters.
    • It causes severe eye damage. Its symptoms may be eye-watering, reddening.
    • It may cause respiratory irritation. It irritates the upper respiratory tract and mucous membranes. Its symptoms may be a dry cough and production of mucous.

     2-Amino-3-bromo-5-fluoropyridine (869557-43-7) Safety Measures

    1. Personal Protection

    Body protection

    Ensure that you wear impervious clothing. While selecting the type of protective equipment to put on, you must consider the amount and concentration of the hazardous substance used at the specific workplace.

    Skin protection

    Wear gloves while handling this chemical product to avoid exposing your hands. Inspect the gloves before using them to ensure that they do not have any tears. Use the proper glove removal technique without touching the outer surface to avoid contamination. Dispose of used gloves immediately after use. Clean your hands and dry them.

    Select gloves that conform to the EU Directive 89/686/EEC specifications and the standard EN 374 derived from it.

    Eye/Face protection

    Wear safety glasses that have side shields conforming to EN 166. Ensure that you use tested and approved eye protection equipment under appropriate government standards such as EN 166(EU) and NIOSH (US).

    Respiratory protection

    Use particle respirator type P95 (US) or type P1 (EU EN 143) to prevent yourself from nuisance exposure. If you need higher level protection, use type OV/AG/P99 (US) or type ABEK-P2 respirator cartridges. Use tested and approved respirators under appropriate government standards such as NIOSH (US) and CEN (EU).

    2. 2-Amino-3-bromo-5-fluoropyridine Engineering Controls

    • Use of local exhaust ventilation and fume hoods in the workstation to control the fumes produced in your operations.
    • Install eyewash stations and safety showers close to the working area. They will help in quick flushing of the substance in case a spillage occurs.

    3. First aid Measures

    If inhaled

    Move the person to an area that has fresh, uncontaminated air. Let them lie down in a position that allows them to breathe comfortably. If they are not breathing, give them artificial respiration.In case they are having difficulties in breathing, administer oxygen.Seek the attention of a doctor.

    If swallowed

    In case you consume this chemical product, you should not try inducing vomiting. Give the victim some water to drink. Rinse your mouth with a lot of water; if the victim is unconscious do not try giving them anything through the mouth. Consult a physician.

    In case of eye contact

    Flush your eyes with plenty of water for a minimum of 15 minutes. Ensure that you remove contact lenses if wearing any and if it is easy and safe to do so. Clean eyes while they are open and ensure that you clean under both eyelids. You could use cold water. Consult a doctor.

    In case of skin contact

    Take off all contaminated clothes and shoes. Wash off the substance with non-abrasive soap and large quantities of running water. You can use cold water. Cover the affected area with an emollient. If irritation persists, seek the attention of a doctor.

    All rescuers should always have enough information about the chemical product involved. They should also be in protective gear.

    4. When Using 2-Amino-3-bromo-5-fluoropyridine (869557-43-7)

    Comply with all regulations and hygiene practice regarding the use of chemicals. Do not breathe the dust, mist or vapors produced by the chemical product as they may be an irritant. Ensure that you are in personal protection equipment to protect you from exposure. Avoid contact with your skin and eyes. Avoid the formation of dust and aerosols. Make sure there is adequate ventilation when using this chemical product. Do not let the substance get into drains because it may be toxic. Ensure that all containers that you are using are well-labeled. Keep eyewash stations, protective equipment, and spillage equipment close to you in case of an accident. Do not eat, drink or smoke when using this chemical to avoid ingesting it.

    5. After Using 2-Amino-3-bromo-5-fluoropyridine (869557-43-7)

    Immediately remove the protective gear you are in, clean it thoroughly and allow it to ventilate. Clean the working surface to avoid any spillage hazards. Dispose of all containers and waste material properly to preventit from piling. Clean your hands and dry them with a clean towel.

    6. When out of use

    Immediately return the remaining chemical product in their storage area. Do not place the chemical product on bench tops to avoid knock-offs. Keep away from untrained or unauthorizedpersonnel. Keep them locked, well-labeled and far from incompatible materials.

    7.  (869557-43-7) Handling and Storage

    Handling

    Ensure that you provide adequate ventilation where dust is formed to prevent its accumulation. Avoid the formation of dust and aerosols while undertaking your operations. Avoid skin and eye exposure as it may cause severe irritation. Do not let this product get into drains. Use only in a fume hood. Ensure that you have eyewash stations and safety baths near you while handling this chemical product. Do not breathe the dust and prevent it from getting into your clothes, eyes,and skin.

    Storage

    This chemical product is hygroscopic (absorbs moisture from the environment). You are advised to store it under inert gas.You could also store it in a desiccator

    Store it in a dry place that is cool and well ventilated. The container should be tightly capped to avoid any spills. Store it away from any sources of ignition and incompatible materials.

    8. 2-Amino-3-bromo-5-fluoropyridine (869557-43-7) Accidental measures

    Spilling

    In case of spillage, wear appropriate protective gear; heavy rubber gloves,  impervious boots to prevent skin exposure. Scoop the solid without creating dust or absorb the liquid material using vermiculite or sand and place it in a suitable closable waste container ready for disposal. Clean up the surface for any spills that may be left out and ventilate it. Clean your hands thoroughly and dry them.

    Fire control

    In the event of a fire, everyone else should move to a safe place. Transfer any portable chemical containers to a safe area if it is possible to do so. Use any of the following extinguishing media;

    • Alcohol/polymer foam
    • Dry chemical powder
    • Carbon dioxide

    This chemical product produces hazardous fumes upon combustion. You are therefore advised to use a breathing apparatus that is self-contained and preventive clothing to prevent your eyes and skin from exposure.

    9. Sensitivity and Reactivity

    2-Amino-3-bromo-5-fluoropyridine (869557-43-7) reacts with aluminium and phosphorous. It is incompatible with strong oxidizing agents, strong acids, bases,Acid chlorides,and Acid anhydrides. Avoid moisture as it is hygroscopic.

    10. Chemical Disposal

    You can mix this chemical with a combustible solvent and burn it in an incinerator that is regulated and has a scrubber and an afterburner.

    You could also give surplus and non-recyclable solutions to a waste disposal company that is licensed. Ensure that you comply with all state, area or federal laws regarding waste disposal.

    11. Shipping Info

    2-Amino-3-bromo-5-fluoropyridine (869557-43-7) is safe to transport by air, water,and road.

    2-Amino-3-bromo-5-fluoropyridine (869557-43-7) Bulk Pricing and Ordering

    Should you need to place an order or have any inquiries regarding this chemical product, get in touch with us today.

    Bibliography

    1. Pyridine and Its Derivatives, Supplement, Part 2, Part 2, edited by R. A. Abramovitch, page 430
    2. Fluorine in Heterocyclic Chemistry Volume 2: 6-Membered Heterocycles, edited by Valentine Nenajdenko, page 49-55
    3. Pyridine and Its Derivatives, Part 2, edited by Erwin Klingsberg, Page 383
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