121639-61-0,MFCD08458138
Catalog No.:AA0015DK

121639-61-0 | 3,4-Difluorophenylacetyl chloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
in stock  
$78.00   $55.00
- +
1g
in stock  
$97.00   $68.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0015DK
Chemical Name:
3,4-Difluorophenylacetyl chloride
CAS Number:
121639-61-0
Molecular Formula:
C8H5ClF2O
Molecular Weight:
190.5745
MDL Number:
MFCD08458138
SMILES:
ClC(=O)Cc1ccc(c(c1)F)F
Properties
Computed Properties
 
Complexity:
174  
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:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Downstream Synthesis Route

[1]Patent:WO2005/87754,2005,A1.Locationinpatent:Page/Pagecolumn50

[2]Patent:US2007/100141,2007,A1.Locationinpatent:Page/Pagecolumn28

[3]JournalofMedicinalChemistry,2004,vol.47,p.1434-1447

[4]JournalofOrganicChemistry,2004,vol.69,p.1903-1908

[5]Patent:US2005/171195,2005,A1.Locationinpatent:Page/Pagecolumn13

[6]Patent:US6046331,2000,A

[7]EuropeanJournalofMedicinalChemistry,2013,vol.62,p.777-784

[8]Chemistry-AnAsianJournal,2015,vol.10,p.925-937

[9]ChemicalBiologyandDrugDesign,2016,vol.87,p.233-238

[10]Patent:US2004/38943,2004,A1

[11]EuropeanJournalofMedicinalChemistry,2017,vol.128,p.79-87

[12]ChemicalBiologyandDrugDesign,2017,vol.90,p.156-161

[13]JournalofMedicinalChemistry,2017,vol.60,p.9769-9789

[14]OrganicLetters,2019,vol.21,p.6909-6913

Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:121639-61-0 Molecular Formula|121639-61-0 MDL|121639-61-0 SMILES|121639-61-0 3,4-Difluorophenylacetyl chloride
Catalog No.: AA0015DK
121639-61-0,MFCD08458138
121639-61-0 | 3,4-Difluorophenylacetyl chloride
Pack Size: 250mg
Purity:
in stock
$78.00 $55.00
Pack Size: 1g
Purity:
in stock
$97.00 $68.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0015DK
Chemical Name: 3,4-Difluorophenylacetyl chloride
CAS Number: 121639-61-0
Molecular Formula: C8H5ClF2O
Molecular Weight: 190.5745
MDL Number: MFCD08458138
SMILES: ClC(=O)Cc1ccc(c(c1)F)F
Properties
Complexity: 174  
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: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Downstream Synthesis Route
658-93-5    121639-61-0 

[1]Patent:WO2005/87754,2005,A1.Locationinpatent:Page/Pagecolumn50

[2]Patent:US2007/100141,2007,A1.Locationinpatent:Page/Pagecolumn28

[3]JournalofMedicinalChemistry,2004,vol.47,p.1434-1447

[4]JournalofOrganicChemistry,2004,vol.69,p.1903-1908

[5]Patent:US2005/171195,2005,A1.Locationinpatent:Page/Pagecolumn13

[6]Patent:US6046331,2000,A

[7]EuropeanJournalofMedicinalChemistry,2013,vol.62,p.777-784

[8]Chemistry-AnAsianJournal,2015,vol.10,p.925-937

[9]ChemicalBiologyandDrugDesign,2016,vol.87,p.233-238

[10]Patent:US2004/38943,2004,A1

[11]EuropeanJournalofMedicinalChemistry,2017,vol.128,p.79-87

[12]ChemicalBiologyandDrugDesign,2017,vol.90,p.156-161

[13]JournalofMedicinalChemistry,2017,vol.60,p.9769-9789

[14]OrganicLetters,2019,vol.21,p.6909-6913

Building Blocks More >
1217501-38-6
1217501-38-6
2-Ethylthiopyridine-5-boronic acid
AA0015PB | MFCD13195658
1217858-20-2
1217858-20-2
R-3-(Boc-aminomethyl)-pyrrolidine-hcl
AA0015YE | MFCD01657031
1218790-88-5
1218790-88-5
4-Hydroxymethyl-3-methylphenylboronic acid
AA00167D | MFCD09996880
1219828-33-7
1219828-33-7
1-(Ethanesulfonyl)azetidine-3-carboxylic acid
AA0016EW | MFCD16653315
1221171-70-5
1221171-70-5
2-Chloro-6-(trifluoromethoxy)pyridine
AA0016P9 | MFCD18909427
122306-01-8
122306-01-8
(6-Bromo-pyridin-3-yl)methanol
AA00170J | MFCD04974508
122536-94-1
122536-94-1
(S)-Pyrrolidin-3-ol, HCl
AA0017CX | MFCD00272298
138-59-0
138-59-0
Shikimic acid
AA0017Q7 | MFCD00066278
1381944-57-5
1381944-57-5
2-(3-Fluorophenyl)-2-methylpropan-1-amine, HCl
AA00183W | MFCD22375032
138372-67-5
138372-67-5
2,2'-(1,3-Phenylene)bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazole]
AA0018L1 | MFCD03093214
Submit
© 2017 AA BLOCKS, INC. All rights reserved.