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261952-16-3,MFCD01631608
Catalog No.:AA002S4C

261952-16-3 | 1-(Bromomethyl)-2-methyl-3-(trifluoromethyl)benzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$14.00   $10.00
- +
1g
98%
in stock  
$47.00   $33.00
- +
5g
95%
in stock  
$212.00   $148.00
- +
25g
95%
in stock  
$627.00 $439.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002S4C
Chemical Name:
1-(Bromomethyl)-2-methyl-3-(trifluoromethyl)benzene
CAS Number:
261952-16-3
Molecular Formula:
C9H8BrF3
Molecular Weight:
253.0590
MDL Number:
MFCD01631608
SMILES:
BrCc1cccc(c1C)C(F)(F)F
Properties
Properties
 
BP:
214.1°C at 760 mmHg  
Form:
Liquid  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
167  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.7  

Downstream Synthesis Route

[1]Patent:WO2010/135504,2010,A1.Locationinpatent:Page/Pagecolumn62-63

[2]ACSMedicinalChemistryLetters,2012,vol.3,p.524-529

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.2230-2234

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.2230-2234

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.2230-2234

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.2230-2234

Literature
Quotation Request
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SDS
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Tags:261952-16-3 Molecular Formula|261952-16-3 MDL|261952-16-3 SMILES|261952-16-3 1-(Bromomethyl)-2-methyl-3-(trifluoromethyl)benzene
Catalog No.: AA002S4C
261952-16-3,MFCD01631608
261952-16-3 | 1-(Bromomethyl)-2-methyl-3-(trifluoromethyl)benzene
Pack Size： 250mg
Purity： 98%
in stock
$14.00 $10.00
Pack Size： 1g
Purity： 98%
in stock
$47.00 $33.00
Pack Size： 5g
Purity： 95%
in stock
$212.00 $148.00
Pack Size： 25g
Purity： 95%
in stock
$627.00 $439.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002S4C
Chemical Name: 1-(Bromomethyl)-2-methyl-3-(trifluoromethyl)benzene
CAS Number: 261952-16-3
Molecular Formula: C9H8BrF3
Molecular Weight: 253.0590
MDL Number: MFCD01631608
SMILES: BrCc1cccc(c1C)C(F)(F)F
Properties
BP: 214.1°C at 760 mmHg  
Form: Liquid  
Storage: Inert atmosphere;2-8℃;  
Complexity: 167  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.7  
Downstream Synthesis Route
261952-16-3    1256290-35-3    1256290-36-4 

[1]Patent:WO2010/135504,2010,A1.Locationinpatent:Page/Pagecolumn62-63

[2]ACSMedicinalChemistryLetters,2012,vol.3,p.524-529

261952-16-3    1366126-64-8    1366126-83-1 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.2230-2234

261952-16-3    1366126-65-9    1366126-84-2 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.2230-2234

261952-16-3    1366126-67-1    1366126-87-5 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.2230-2234

261952-16-3    57473-33-3    1366126-81-9 

[1]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.2230-2234

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