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28394-58-3,MFCD06204554
Catalog No.:AA00BFLP

28394-58-3 | Ethyl 3,4-dichlorobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$7.00   $5.00
- +
25g
98%
in stock  
$14.00   $10.00
- +
100g
98%
in stock  
$53.00   $37.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BFLP
Chemical Name:
Ethyl 3,4-dichlorobenzoate
CAS Number:
28394-58-3
Molecular Formula:
C9H8Cl2O2
Molecular Weight:
219.0646
MDL Number:
MFCD06204554
SMILES:
CCOC(=O)c1ccc(c(c1)Cl)Cl
Properties
Computed Properties
 
Complexity:
185  
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:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.2  

Upstream Synthesis Route

[1]Chemosphere,1997,vol.35,#6,p.1233-1241

[1]ChemicalandPharmaceuticalBulletin,1992,vol.40,#4,p.1047-1049

[2]AngewandteChemie-InternationalEdition,2007,vol.46,#10,p.1627-1629

[3]AnnalesAcademiaeScientiarumFennicae,SeriesA2:Chemica,1945,#16,

[4]Arzneimittel-Forschung/DrugResearch,2008,vol.58,#10,p.510-514

[5]ArchivderPharmazie,2017,vol.350,#9,

[6]RSCAdvances,2018,vol.8,#12,p.6306-6314

[1]BulletinoftheKoreanChemicalSociety,2015,vol.36,#8,p.2055-2061

[1]Synthesis(Germany),2013,vol.45,#24,p.3361-3368

[1]JournalofMedicinalChemistry,1983,vol.26,#5,p.765-768

Downstream Synthesis Route

[1]ChemicalandPharmaceuticalBulletin,1992,vol.40,p.1047-1049

[2]AngewandteChemie-InternationalEdition,2007,vol.46,p.1627-1629

[3]AnnalesAcademiaeScientiarumFennicae,SeriesA2:Chemica,1945

[4]Arzneimittel-Forschung/DrugResearch,2008,vol.58,p.510-514

[5]ArchivderPharmazie,2017,vol.350

[6]RSCAdvances,2018,vol.8,p.6306-6314

[1]JournaloftheAmericanChemicalSociety,1953,vol.75,p.1933,1934

[2]Arzneimittel-Forschung/DrugResearch,2008,vol.58,p.510-514

[3]ArchivderPharmazie,2017,vol.350

[4]RSCAdvances,2018,vol.8,p.6306-6314

[1]JustusLiebigsAnnalenderChemie,1869,vol.152,p.238

[1]JournalofFluorineChemistry,1991,vol.53,p.301-305

[1]JournalofMedicinalChemistry,1983,vol.26,p.765-768

Literature
Quotation Request
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SDS
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Tags:28394-58-3 Molecular Formula|28394-58-3 MDL|28394-58-3 SMILES|28394-58-3 Ethyl 3,4-dichlorobenzoate
Catalog No.: AA00BFLP
28394-58-3,MFCD06204554
28394-58-3 | Ethyl 3,4-dichlorobenzoate
Pack Size： 5g
Purity： 98%
in stock
$7.00 $5.00
Pack Size： 25g
Purity： 98%
in stock
$14.00 $10.00
Pack Size： 100g
Purity： 98%
in stock
$53.00 $37.00
Quantity
- +
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Technical Information
Catalog Number: AA00BFLP
Chemical Name: Ethyl 3,4-dichlorobenzoate
CAS Number: 28394-58-3
Molecular Formula: C9H8Cl2O2
Molecular Weight: 219.0646
MDL Number: MFCD06204554
SMILES: CCOC(=O)c1ccc(c(c1)Cl)Cl
Properties
Complexity: 185  
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: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.2  
Upstream Synthesis Route
28394-58-3    17287-03-5    2905-68-2 

[1]Chemosphere,1997,vol.35,#6,p.1233-1241

64-17-5    51-44-5    28394-58-3 

[1]ChemicalandPharmaceuticalBulletin,1992,vol.40,#4,p.1047-1049

[2]AngewandteChemie-InternationalEdition,2007,vol.46,#10,p.1627-1629

[3]AnnalesAcademiaeScientiarumFennicae,SeriesA2:Chemica,1945,#16,

[4]Arzneimittel-Forschung/DrugResearch,2008,vol.58,#10,p.510-514

[5]ArchivderPharmazie,2017,vol.350,#9,

[6]RSCAdvances,2018,vol.8,#12,p.6306-6314

64-17-5    6287-38-3    51-44-5    28394-58-3 

[1]BulletinoftheKoreanChemicalSociety,2015,vol.36,#8,p.2055-2061

51-44-5    1569262-64-1    28394-58-3 

[1]Synthesis(Germany),2013,vol.45,#24,p.3361-3368

51-44-5    28394-58-3 

[1]JournalofMedicinalChemistry,1983,vol.26,#5,p.765-768

Downstream Synthesis Route
64-17-5    51-44-5    28394-58-3 

[1]ChemicalandPharmaceuticalBulletin,1992,vol.40,p.1047-1049

[2]AngewandteChemie-InternationalEdition,2007,vol.46,p.1627-1629

[3]AnnalesAcademiaeScientiarumFennicae,SeriesA2:Chemica,1945

[4]Arzneimittel-Forschung/DrugResearch,2008,vol.58,p.510-514

[5]ArchivderPharmazie,2017,vol.350

[6]RSCAdvances,2018,vol.8,p.6306-6314

28394-58-3    28036-91-1 

[1]JournaloftheAmericanChemicalSociety,1953,vol.75,p.1933,1934

[2]Arzneimittel-Forschung/DrugResearch,2008,vol.58,p.510-514

[3]ArchivderPharmazie,2017,vol.350

[4]RSCAdvances,2018,vol.8,p.6306-6314

32768-54-0    28394-58-3 

[1]JustusLiebigsAnnalenderChemie,1869,vol.152,p.238

28394-58-3    137521-81-4 

[1]JournalofFluorineChemistry,1991,vol.53,p.301-305

141-52-6    3024-72-4    28394-58-3 

[1]JournalofMedicinalChemistry,1983,vol.26,p.765-768

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