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Home Bromides 1000577-91-2
1000577-91-2,MFCD09800816
Catalog No.:AA0000OT

1000577-91-2 | Benzonitrile, 3-bromo-4-isothiocyanato-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
1 week  
$661.00   $463.00
- +
1g
95%
1 week  
$1,045.00   $732.00
- +
5g
95%
1 week  
$2,563.00   $1,794.00
- +
25g
95%
1 week  
$10,992.00   $7,694.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0000OT
Chemical Name:
Benzonitrile, 3-bromo-4-isothiocyanato-
CAS Number:
1000577-91-2
Molecular Formula:
C8H3BrN2S
Molecular Weight:
239.0918
MDL Number:
MFCD09800816
SMILES:
S=C=Nc1ccc(cc1Br)C#N
Properties
Computed Properties
 
Complexity:
251  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
3.7  

Downstream Synthesis Route
110-91-8    1000577-91-2   
C12H12BrN3OS 

[1]Rout,SarojKumar;Guin,Srimanta;Nath,Jayashree;Patel,BhismaK.[GreenChemistry,2012,vol.14,#9,p.2491-2498]

[1]Rout,SarojKumar;Guin,Srimanta;Nath,Jayashree;Patel,BhismaK.[GreenChemistry,2012,vol.14,#9,p.2491-2498]

[1]Mandapati,Usharani;Pinapati,Srinivasarao;Tamminana,Ramana;Rameshraju,Rudraraju[CatalysisLetters,2018,vol.148,#1,p.418-423]

Literature
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Additional Info:
SDS
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Tags:1000577-91-2 Molecular Formula|1000577-91-2 MDL|1000577-91-2 SMILES|1000577-91-2 Benzonitrile, 3-bromo-4-isothiocyanato-