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80789-69-1,MFCD00001373
Catalog No.:AA0051C5

80789-69-1 | 1-(4-Chlorophenyl)cyclopentane-1-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$22.00   $15.00
- +
5g
95%
in stock  
$26.00   $18.00
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25g
95%
in stock  
$95.00   $67.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0051C5
Chemical Name:
1-(4-Chlorophenyl)cyclopentane-1-carboxylic acid
CAS Number:
80789-69-1
Molecular Formula:
C12H13ClO2
Molecular Weight:
224.6834
MDL Number:
MFCD00001373
SMILES:
OC(=O)C1(CCCC1)c1ccc(cc1)Cl
NSC Number:
123457
Properties
Properties
 
BP:
364.6 °C at 760 mmHg  
Form:
Solid  
MP:
162-164 °C(lit.)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
238  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.4  

Downstream Synthesis Route

[1]RussianJournalofGeneralChemistry,2019,vol.89,p.1051-1054    Zh.Obshch.Khim.,2019,vol.89,p.812-816,5

[2]PharmaceuticalChemistryJournal,1992,vol.26,p.169-173    Khimiko-FarmatsevticheskiiZhurnal,1992,vol.26,p.54-56

[3]JournalofOrganicChemistry,1994,vol.59,p.6464-6469

[4]Japan.P.3427<1952>;C.A.19543999,

[1]PharmaceuticalChemistryJournal,1992,vol.26,p.169-173    Khimiko-FarmatsevticheskiiZhurnal,1992,vol.26,p.54-56

[1]PharmaceuticalChemistryJournal,1992,vol.26,p.169-173    Khimiko-FarmatsevticheskiiZhurnal,1992,vol.26,p.54-56

[1]PharmaceuticalChemistryJournal,1992,vol.26,p.169-173    Khimiko-FarmatsevticheskiiZhurnal,1992,vol.26,p.54-56

[2]JournalofMedicinalChemistry,1994,vol.37,p.1964-1970

[3]JournalofMedicinalChemistry,1994,vol.37,p.2285-2291

[4]Patent:US2002/169203,2002,A1

[5]JournaloftheAmericanChemicalSociety,2008,vol.130,p.14058-14059

[6]OrganicLetters,2017,vol.19,p.6332-6335

[7]RussianJournalofGeneralChemistry,2019,vol.89,p.1051-1054    Zh.Obshch.Khim.,2019,vol.89,p.812-816,5

[8]JournalofMedicinalChemistry,2020

[1]PharmaceuticalChemistryJournal,1992,vol.26,p.169-173    Khimiko-FarmatsevticheskiiZhurnal,1992,vol.26,p.54-56

Literature

Title: Syntheses, molecular structures, electrochemical behavior, theoretical study, and antitumor activities of organotin(IV) complexes containing 1-(4-chlorophenyl)-1-cyclopentanecarboxylato ligands.

Journal: Inorganic chemistry 20110905

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SDS
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