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172215-91-7,MFCD12828280
Catalog No.:AA00AK85

172215-91-7 | 3-Bromo-4-(trifluoromethyl)aniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$11.00   $8.00
- +
1g
98%
in stock  
$35.00   $25.00
- +
5g
98%
in stock  
$57.00   $40.00
- +
10g
98%
in stock  
$104.00   $73.00
- +
100g
98%
in stock  
$807.00   $565.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00AK85
Chemical Name:
3-Bromo-4-(trifluoromethyl)aniline
CAS Number:
172215-91-7
Molecular Formula:
C7H5BrF3N
Molecular Weight:
240.0205
MDL Number:
MFCD12828280
SMILES:
Nc1ccc(c(c1)Br)C(F)(F)F
Properties
Properties
 
Form:
Liquid  
MP:
108℃ (ligroine )  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
159  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Downstream Synthesis Route

[1]CurrentPatentAssignee:VALOHEALTHINC-WO2018/75959,2018,A1Locationinpatent:Paragraph0451-0452;0537

[2]Keana;Kher;SuiXiongCai;Dinsmore;Glenn;Guastella;Huang;Ilyin;Lu;Mouser;Woodward;Weber[JournalofMedicinalChemistry,1995,vol.38,#22,p.4367-4379]

[1]Ryu,Chung-Kyu;Lee,In-Kyung;Jung,Sung-Hee;Kang,Hye-Young;Lee,Chong-Ock[MedicinalChemistryResearch,2000,vol.10,#1,p.40-49]

[1]Chen,Li;Huang,Zhiqiang;Wang,Qingmin;Shang,Jian;Huang,Runqiu;Bi,Fuchun[JournalofAgriculturalandFoodChemistry,2007,vol.55,#7,p.2659-2663]

[1]Chen,Li;Huang,Zhiqiang;Wang,Qingmin;Shang,Jian;Huang,Runqiu;Bi,Fuchun[JournalofAgriculturalandFoodChemistry,2007,vol.55,#7,p.2659-2663]

[1]Chen,Li;Huang,Zhiqiang;Wang,Qingmin;Shang,Jian;Huang,Runqiu;Bi,Fuchun[JournalofAgriculturalandFoodChemistry,2007,vol.55,#7,p.2659-2663]

Literature
Quotation Request
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SDS
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Tags:172215-91-7 Molecular Formula|172215-91-7 MDL|172215-91-7 SMILES|172215-91-7 3-Bromo-4-(trifluoromethyl)aniline
Catalog No.: AA00AK85
172215-91-7,MFCD12828280
172215-91-7 | 3-Bromo-4-(trifluoromethyl)aniline
Pack Size： 250mg
Purity： 98%
in stock
$11.00 $8.00
Pack Size： 1g
Purity： 98%
in stock
$35.00 $25.00
Pack Size： 5g
Purity： 98%
in stock
$57.00 $40.00
Pack Size： 10g
Purity： 98%
in stock
$104.00 $73.00
Pack Size： 100g
Purity： 98%
in stock
$807.00 $565.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00AK85
Chemical Name: 3-Bromo-4-(trifluoromethyl)aniline
CAS Number: 172215-91-7
Molecular Formula: C7H5BrF3N
Molecular Weight: 240.0205
MDL Number: MFCD12828280
SMILES: Nc1ccc(c(c1)Br)C(F)(F)F
Properties
Form: Liquid  
MP: 108℃ (ligroine )  
Storage: Inert atmosphere;2-8℃;  
Complexity: 159  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Downstream Synthesis Route
108-24-7    172215-91-7    1025812-78-5 

[1]CurrentPatentAssignee:VALOHEALTHINC-WO2018/75959,2018,A1Locationinpatent:Paragraph0451-0452;0537

[2]Keana;Kher;SuiXiongCai;Dinsmore;Glenn;Guastella;Huang;Ilyin;Lu;Mouser;Woodward;Weber[JournalofMedicinalChemistry,1995,vol.38,#22,p.4367-4379]

84289-03-2    172215-91-7    296776-16-4 

[1]Ryu,Chung-Kyu;Lee,In-Kyung;Jung,Sung-Hee;Kang,Hye-Young;Lee,Chong-Ock[MedicinalChemistryResearch,2000,vol.10,#1,p.40-49]

1051431-26-5    172215-91-7    935449-52-8 

[1]Chen,Li;Huang,Zhiqiang;Wang,Qingmin;Shang,Jian;Huang,Runqiu;Bi,Fuchun[JournalofAgriculturalandFoodChemistry,2007,vol.55,#7,p.2659-2663]

172215-91-7    921943-35-3 

[1]Chen,Li;Huang,Zhiqiang;Wang,Qingmin;Shang,Jian;Huang,Runqiu;Bi,Fuchun[JournalofAgriculturalandFoodChemistry,2007,vol.55,#7,p.2659-2663]

172215-91-7    921943-41-1 

[1]Chen,Li;Huang,Zhiqiang;Wang,Qingmin;Shang,Jian;Huang,Runqiu;Bi,Fuchun[JournalofAgriculturalandFoodChemistry,2007,vol.55,#7,p.2659-2663]

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