Home Bromides 96804-05-6
96804-05-6,MFCD09955275
Catalog No.:AA005SQP

96804-05-6 | 1-Bromo-4-[(2,2-diethoxyethyl)thio]benzene

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250mg
95%
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$243.00   $170.00
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1g
95%
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$530.00   $371.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005SQP
Chemical Name:
1-Bromo-4-[(2,2-diethoxyethyl)thio]benzene
CAS Number:
96804-05-6
Molecular Formula:
C12H17BrO2S
Molecular Weight:
305.2312
MDL Number:
MFCD09955275
SMILES:
CCOC(CSc1ccc(cc1)Br)OCC
Properties
Properties
 
BP:
344.87°C at 760 mmHg  
Form:
Liquid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
166  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
7  
XLogP3:
3.7  

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1995,vol.60,p.1936-1938

[2]Phosphorus,SulfurandSiliconandtheRelatedElements,1994,vol.96,p.441-444

[3]Patent:US2006/52378,2006,A1.Locationinpatent:Page/Pagecolumn103

[4]Patent:WO2014/186035,2014,A1.Locationinpatent:Page/Pagecolumn189

[5]JournaloftheChemicalSociety,1956,p.2603,2607

[6]JournaloftheChemicalSociety.PerkintransactionsII,1982,p.1489-1492

[1]CurrentPatentAssignee:CURADEVPHARMAPRIVATELTD-WO2014/186035,2014,A1Locationinpatent:Page/Pagecolumn188;189

[2]CurrentPatentAssignee:CURIAINC-US2006/52378,2006,A1Locationinpatent:Page/Pagecolumn103

[3]Amin,HassanB.;Awad,AminA.;Archer,WilliamJ.;Taylor,Roger[JournaloftheChemicalSociety.PerkintransactionsII,1982,p.1489-1492]

[4]Alves;Fulcrand;Berge;etal.[EuropeanJournalofMedicinalChemistry,1986,vol.21,#4,p.297-304]

[5]CurrentPatentAssignee:ABBVIEINC-US2002/169188,2002,A1

[6]Cardoso,MarcosVeríssimodeOliveira;deOliveiraFilho,GevanioBezerra;deSiqueira,LuciannaRabeloPessoa;Espíndola,JoséWanderlanPontes;Silva,ElanyBarbosada;Mendes,AndresaPereiradeOliveira;Pereira,ValériaRêgoAlves;deCastro,MariaCarolinaAcciolyBrelaz;Ferreira,RafaelaSalgado;Villela,FilipeSilva;Costa,FranciellyMoraisRodriguesda;Meira,CássioSantana;Moreira,DiogoRodrigoMagalhães;Soares,MilenaBotelhoPereira;Leite,AnaCristinaLima[EuropeanJournalofMedicinalChemistry,2019,vol.180,p.191-203]

Literature
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SDS
Tags:96804-05-6 Molecular Formula|96804-05-6 MDL|96804-05-6 SMILES|96804-05-6 1-Bromo-4-[(2,2-diethoxyethyl)thio]benzene