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135748-35-5,MFCD06659464
Catalog No.:AA00HUBD

135748-35-5 | 4-Chloro-2,5-difluorobenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$6.00   $4.00
- +
1g
95%
in stock  
$8.00   $6.00
- +
5g
97%
in stock  
$24.00   $17.00
- +
10g
95%
in stock  
$45.00   $32.00
- +
25g
≥97%
in stock  
$112.00   $78.00
- +
100g
≥97%
in stock  
$391.00   $274.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00HUBD
Chemical Name:
4-Chloro-2,5-difluorobenzonitrile
CAS Number:
135748-35-5
Molecular Formula:
C7H2ClF2N
Molecular Weight:
173.5473
MDL Number:
MFCD06659464
SMILES:
N#Cc1cc(F)c(cc1F)Cl
Properties
Computed Properties
 
Complexity:
188  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Upstream Synthesis Route

[1]BioorganicandMedicinalChemistry,2012,vol.20,#17,p.5235-5246

[1]BioorganicandMedicinalChemistry,2012,vol.20,#17,p.5235-5246

[1]BioorganicandMedicinalChemistry,2012,vol.20,#17,p.5235-5246

Downstream Synthesis Route
135748-35-5    100306-33-0    765-30-0   
4-Chloro-2-(1R)-3-(cyclopropylamino)-1-phenylpropyloxy}-5-fluorobenzonitrileoxalate 

[1]Patent:US2003/158185,2003,A1

135748-35-5    357404-66-1    765-30-0   
4-Chloro-2-(1R)-3-(cyclopropylamino)-1-(3-furanyl)propyloxy}-5-fluorobenzonitrileoxalate 

[1]Patent:US2003/158185,2003,A1

135748-35-5    357405-59-5    765-30-0   
4-Chloro-2-(1R)-3-(cyclopropylamino)-1-(thien-3-yl)propyloxy}-5-fluorobenzonitrileoxalate 

[1]Patent:US2003/158185,2003,A1

135748-35-5    357404-66-1    109-85-3   
4-Chloro-5-fluoro-2-({(1R)-1-(3-furanyl)-3-(2-methoxyethyl)aminopropyl}oxy)benzonitrileoxalate 

[1]Patent:US2003/158185,2003,A1

[1]Patent:US2003/158185,2003,A1

Literature
Quotation Request
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SDS
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Tags:135748-35-5 Molecular Formula|135748-35-5 MDL|135748-35-5 SMILES|135748-35-5 4-Chloro-2,5-difluorobenzonitrile
Catalog No.: AA00HUBD
135748-35-5,MFCD06659464
135748-35-5 | 4-Chloro-2,5-difluorobenzonitrile
Pack Size： 250mg
Purity： 97%
in stock
$6.00 $4.00
Pack Size： 1g
Purity： 95%
in stock
$8.00 $6.00
Pack Size： 5g
Purity： 97%
in stock
$24.00 $17.00
Pack Size： 10g
Purity： 95%
in stock
$45.00 $32.00
Pack Size： 25g
Purity： ≥97%
in stock
$112.00 $78.00
Pack Size： 100g
Purity： ≥97%
in stock
$391.00 $274.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00HUBD
Chemical Name: 4-Chloro-2,5-difluorobenzonitrile
CAS Number: 135748-35-5
Molecular Formula: C7H2ClF2N
Molecular Weight: 173.5473
MDL Number: MFCD06659464
SMILES: N#Cc1cc(F)c(cc1F)Cl
Properties
Complexity: 188  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Upstream Synthesis Route
508203-26-7    135748-35-5 

[1]BioorganicandMedicinalChemistry,2012,vol.20,#17,p.5235-5246

132794-08-2    135748-35-5 

[1]BioorganicandMedicinalChemistry,2012,vol.20,#17,p.5235-5246

132794-07-1    135748-35-5 

[1]BioorganicandMedicinalChemistry,2012,vol.20,#17,p.5235-5246

Downstream Synthesis Route
135748-35-5    100306-33-0    765-30-0   
4-Chloro-2-(1R)-3-(cyclopropylamino)-1-phenylpropyloxy}-5-fluorobenzonitrileoxalate 

[1]Patent:US2003/158185,2003,A1

135748-35-5    357404-66-1    765-30-0   
4-Chloro-2-(1R)-3-(cyclopropylamino)-1-(3-furanyl)propyloxy}-5-fluorobenzonitrileoxalate 

[1]Patent:US2003/158185,2003,A1

135748-35-5    357405-59-5    765-30-0   
4-Chloro-2-(1R)-3-(cyclopropylamino)-1-(thien-3-yl)propyloxy}-5-fluorobenzonitrileoxalate 

[1]Patent:US2003/158185,2003,A1

135748-35-5    357404-66-1    109-85-3   
4-Chloro-5-fluoro-2-({(1R)-1-(3-furanyl)-3-(2-methoxyethyl)aminopropyl}oxy)benzonitrileoxalate 

[1]Patent:US2003/158185,2003,A1

135748-35-5    357405-60-8 

[1]Patent:US2003/158185,2003,A1

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