Home Bromides 2105-94-4
2105-94-4,MFCD00011722
Catalog No.:AA002KRM

2105-94-4 | 4-Bromo-2-fluorophenol

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Purity
Availability
Price(USD)
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5g
98%
in stock  
$6.00   $4.00
- +
10g
98%
in stock  
$7.00   $5.00
- +
25g
98%
in stock  
$16.00   $11.00
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100g
≥97%
in stock  
$53.00   $37.00
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500g
98%
in stock  
$189.00   $132.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002KRM
Chemical Name:
4-Bromo-2-fluorophenol
CAS Number:
2105-94-4
Molecular Formula:
C6H4BrFO
Molecular Weight:
190.9978
MDL Number:
MFCD00011722
SMILES:
Brc1ccc(c(c1)F)O
Properties
Properties
 
BP:
206.1°C at 760 mmHg  
Form:
Liquid  
MP:
32.5-33.5°C  
Refractive Index:
n20/D 1.566(lit.)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
99.1  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
2.6  

Upstream Synthesis Route

[1]Patent:US4642338,1987,A,

[2]Patent:US4725683,1988,A,

[3]Patent:US4808750,1989,A,

[4]Patent:US4550192,1985,A,

[5]Chemistry-AEuropeanJournal,2017,vol.23,#5,p.1044-1047

[6]MolecularCrystalsandLiquidCrystals(1969-1991),1981,vol.67,p.1-24

[7]CanadianJournalofChemistry,1965,vol.43,p.650-658

[8]JournalofMedicinalChemistry,2002,vol.45,#14,p.3112-3129

[9]BulletindelaSocieteChimiquedeFrance,1980,vol.2,#3-4,p.175-178

[10]Patent:WO2005/123748,2005,A1,.Locationinpatent:Page/Pagecolumn84-85

[11]Patent:WO2006/135316,2006,A1,.Locationinpatent:Page/Pagecolumn58

[12]Patent:WO2006/137770,2006,A1,.Locationinpatent:Page/Pagecolumn33

[13]CanadianJournalofChemistry,2011,vol.89,#3,p.364-384

[1]Tetrahedron,2012,vol.68,#46,p.9456-9463

[1]Patent:US5225607,1993,A,

[2]Patent:EP240121,1991,B1,

[1]Patent:US4829074,1989,A,

[1]JournaloftheAmericanChemicalSociety,1959,vol.81,p.94,95,97

Downstream Synthesis Route

[1]Shelyazhenko,S.V.;Fialkov,Yu.A.;Yagupol'skii,L.M.[JournalofOrganicChemistryUSSR(EnglishTranslation),1992,vol.28,#8.1,p.1317-1324][ZhurnalOrganicheskoiKhimii,1992,vol.28,#8,p.1652-1660]

[1]TetrahedronLetters,1994,vol.35,p.3277-3280

[1]BulletindelaSocieteChimiquedeFrance,1980,vol.2,p.175-178

[1]CurrentPatentAssignee:DOWINC-US4642338,1987,A

[2]CurrentPatentAssignee:DOWINC-US4725683,1988,A

[3]CurrentPatentAssignee:DOWINC-US4808750,1989,A

[4]CurrentPatentAssignee:DOWINC-US4550192,1985,A

[5]Mostafa,MohamedA.B.;Calder,EwenD.D.;Racys,DaugirdasT.;Sutherland,Andrew[Chemistry-AEuropeanJournal,2017,vol.23,#5,p.1044-1047]

[6]Wu,Yong-Qi;Lu,Hai-Jia;Zhao,Wen-Ting;Zhao,Hong-Yi;Lin,Zi-Yun;Zhang,Dong-Feng;Huang,Hai-Hong[SyntheticCommunications,2020,vol.50,#6,p.813-822]

[7]Wang,Ligeng;Feng,Chun;Zhang,Yan;Hu,Jun[Molecules,2020,vol.25,#4]

[8]Ma,Xiantao;Yu,Jing;Jiang,Mengyuan;Wang,Mengyu;Tang,Lin;Wei,Mengmeng;Zhou,Qiuju[EuropeanJournalofOrganicChemistry,2019,vol.2019,#28,p.4593-4596]

[9]Gray,G.W.;Hogg,C.;Lacey,D.[MolecularCrystalsandLiquidCrystals(1969-1991),1981,vol.67,p.1-24]

[10]Baker,A.W.;Shulgin,A.T.[CanadianJournalofChemistry,1965,vol.43,p.650-658]

[11]Kline,Toni;Andersen,NielsH.;Harwood,EricA.;Bowman,Jason;Malanda,Andre;Endsley,Stephanie;Erwin,AliceL.;Doyle,Michael;Fong,Susan;Harris,AlexL.;Mendelsohn,Brian;Mdluli,Khisimuzi;Raetz,ChristianR.H.;Stover,C.Kendall;Witte,PamelaR.;Yabannavar,Asha;Zhu,Shuguang[JournalofMedicinalChemistry,2002,vol.45,#14,p.3112-3129]

[12]Aymes,DanielJ.;Paris,MichelR.[BulletindelaSocieteChimiquedeFrance,1980,vol.2,#3-4,p.175-178]

[13]CurrentPatentAssignee:ANIMEDA-WO2005/123748,2005,A1Locationinpatent:Page/Pagecolumn84-85

[14]CurrentPatentAssignee:ANIMEDA-WO2006/135316,2006,A1Locationinpatent:Page/Pagecolumn58

[15]CurrentPatentAssignee:ASTRAZENECAPLC-WO2006/137770,2006,A1Locationinpatent:Page/Pagecolumn33

[16]Locationinpatent:schemeortableGivens,RichardS.;Stensrud,Kenneth;Conrad,PeterG.;Yousef,AbrahamL.;Perera,Chamani;Senadheera,SanjeewaN.;Heger,Dominik;Wirz,Jakob[CanadianJournalofChemistry,2011,vol.89,#3,p.364-384]

[17]Egorova,Anna;Ekins,Sean;Jahn,Birgit;Kazakova,Elena;Makarov,Vadim;Schmidtke,Michaela[EuropeanJournalofMedicinalChemistry,2020,vol.188]

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2341044,2011,A1Locationinpatent:Page/Pagecolumn64

[2]CurrentPatentAssignee:LGCHEMCO.,LTD.-WO2014/69963,2014,A1Locationinpatent:Paragraph373-374

[3]Locationinpatent:experimentalpartGivens,RichardS.;Stensrud,Kenneth;Conrad,PeterG.;Yousef,AbrahamL.;Perera,Chamani;Senadheera,SanjeewaN.;Heger,Dominik;Wirz,Jakob[CanadianJournalofChemistry,2011,vol.89,#3,p.364-384]

[4]CurrentPatentAssignee:PFIZERINC;ASTRAZENECAPLC;TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2010/131022,2010,A1Locationinpatent:Page/Pagecolumn71

[5]Booth,ChristopherJ.;Dunmur,DavidA.;Goodby,JohnW.;Toyne,KennethJ.;Watson,MarcusJ.[JournalofMaterialsChemistry,1996,vol.6,#6,p.919-926]

[6]CurrentPatentAssignee:EISAICOLTD-WO2016/196342,2016,A1Locationinpatent:Page/Pagecolumn124;125

[7]CurrentPatentAssignee:PERRIGOCOMPANYPUBLICLIMITEDCOMPANY-WO2005/95326,2005,A2Locationinpatent:Page/Pagecolumn180

[8]Hird,Michael;Goodby,JohnW.;Toyne,KennethJ.;Gleeson,HelenF.;PeterBuxton;Seed,AlexanderJ.;Herbert,MarkR.[MolecularCrystalsandLiquidCrystalsScienceandTechnology,SectionA:MolecularCrystalsandLiquidCrystals,2001,vol.365,p.213-220]

[9]CurrentPatentAssignee:PFIZERINC-US2009/36425,2009,A1Locationinpatent:Page/Pagecolumn16

[10]CurrentPatentAssignee:MERCK&COINC-US2009/239890,2009,A1Locationinpatent:Page/Pagecolumn19;22

[11]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2010/80503,2010,A1Locationinpatent:Page/Pagecolumn197

[12]CurrentPatentAssignee:MERCKKGAA-US2011/233466,2011,A1

[13]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2016/107832,2016,A1Locationinpatent:Page/Pagecolumn98

Literature

Title: 1hJFH coupling in 2-fluorophenol revisited: is intramolecular hydrogen bond responsible for this long-range coupling?

Journal: Magnetic resonance in chemistry : MRC 20111201

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