40964-56-5,MFCD10696349
Catalog No.:AA003AAC

40964-56-5 | 4-Bromo-1H-1,2,3-triazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$22.00   $15.00
- +
500mg
95%
in stock  
$38.00   $27.00
- +
2g
95%
in stock  
$150.00   $105.00
- +
5g
95%
in stock  
$285.00   $200.00
- +
10g
95%
in stock  
$460.00   $322.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003AAC
Chemical Name:
4-Bromo-1H-1,2,3-triazole
CAS Number:
40964-56-5
Molecular Formula:
C2H2BrN3
Molecular Weight:
147.9614
MDL Number:
MFCD10696349
SMILES:
Brc1cnn[nH]1
Properties
Computed Properties
 
Complexity:
48.1  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.6  

Downstream Synthesis Route

[1]Begtrup,Mikael[BulletindesSocietesChimiquesBelges,1988,vol.97,#8-9,p.573-598]

C14H16Cl3NO2 
  40964-56-5    1476719-53-5 

[1]Hsu,Ku-Lung;Tsuboi,Katsunori;Whitby,LandonR.;Speers,AnnaE.;Pugh,Holly;Inloes,Jordon;Cravatt,BenjaminF.[JournalofMedicinalChemistry,2013,vol.56,#21,p.8257-8269]

tert-butylN-(2R,3S,5S)-2-(2,5-difluorophenyl)-5-hydroxytetrahydropyran-3-ylcarbamate 
  40964-56-5   
tert-butylN-(2R,3S,5R)-5-(4-bromotriazol-2-yl)-2-(2,5-difluorophenyl)tetrahydropyran3-ylcarbamate 

[1]CurrentPatentAssignee:ELILILLY&CO;LILLYCHINARESEARCHANDDEVELOPMENT-WO2018/102256,2018,A1Locationinpatent:Page/Pagecolumn19;20

5-chloro-6-(1-(oxetan-3-yl)piperidin-4-yl)-1H-indazole 
  40964-56-5    76-05-1   
5-chloro-6-(1-(oxetan-3-yl)piperidin-4-yl)-1-(1H-1,2,3-triazol-4-yl)-1H-indazoletrifluoroaceticacid 

[1]CurrentPatentAssignee:MERCK&COINC-WO2020/92136,2020,A1Locationinpatent:Page/Pagecolumn56

76513-69-4    40964-56-5   
4-bromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-1,2,3-triazole 

[1]CurrentPatentAssignee:CORBUSPHARMACEUTICALSINC-WO2021/87127,2021,A1Locationinpatent:Page/Pagecolumn38;39

Literature
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SDS
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Tags:40964-56-5 Molecular Formula|40964-56-5 MDL|40964-56-5 SMILES|40964-56-5 4-Bromo-1H-1,2,3-triazole
Catalog No.: AA003AAC
40964-56-5,MFCD10696349
40964-56-5 | 4-Bromo-1H-1,2,3-triazole
Pack Size: 250mg
Purity: 95%
in stock
$22.00 $15.00
Pack Size: 500mg
Purity: 95%
in stock
$38.00 $27.00
Pack Size: 2g
Purity: 95%
in stock
$150.00 $105.00
Pack Size: 5g
Purity: 95%
in stock
$285.00 $200.00
Pack Size: 10g
Purity: 95%
in stock
$460.00 $322.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003AAC
Chemical Name: 4-Bromo-1H-1,2,3-triazole
CAS Number: 40964-56-5
Molecular Formula: C2H2BrN3
Molecular Weight: 147.9614
MDL Number: MFCD10696349
SMILES: Brc1cnn[nH]1
Properties
Complexity: 48.1  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 6  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.6  
Downstream Synthesis Route
805315-84-8    40964-56-5 

[1]Begtrup,Mikael[BulletindesSocietesChimiquesBelges,1988,vol.97,#8-9,p.573-598]

C14H16Cl3NO2 
  40964-56-5    1476719-53-5 

[1]Hsu,Ku-Lung;Tsuboi,Katsunori;Whitby,LandonR.;Speers,AnnaE.;Pugh,Holly;Inloes,Jordon;Cravatt,BenjaminF.[JournalofMedicinalChemistry,2013,vol.56,#21,p.8257-8269]

tert-butylN-(2R,3S,5S)-2-(2,5-difluorophenyl)-5-hydroxytetrahydropyran-3-ylcarbamate 
  40964-56-5   
tert-butylN-(2R,3S,5R)-5-(4-bromotriazol-2-yl)-2-(2,5-difluorophenyl)tetrahydropyran3-ylcarbamate 

[1]CurrentPatentAssignee:ELILILLY&CO;LILLYCHINARESEARCHANDDEVELOPMENT-WO2018/102256,2018,A1Locationinpatent:Page/Pagecolumn19;20

5-chloro-6-(1-(oxetan-3-yl)piperidin-4-yl)-1H-indazole 
  40964-56-5    76-05-1   
5-chloro-6-(1-(oxetan-3-yl)piperidin-4-yl)-1-(1H-1,2,3-triazol-4-yl)-1H-indazoletrifluoroaceticacid 

[1]CurrentPatentAssignee:MERCK&COINC-WO2020/92136,2020,A1Locationinpatent:Page/Pagecolumn56

76513-69-4    40964-56-5   
4-bromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-1,2,3-triazole 

[1]CurrentPatentAssignee:CORBUSPHARMACEUTICALSINC-WO2021/87127,2021,A1Locationinpatent:Page/Pagecolumn38;39

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