16331-45-6,MFCD00000697
Catalog No.:AA001TYD

16331-45-6 | Benzoyl chloride, 4-ethyl-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$24.00   $17.00
- +
5g
99%
in stock  
$36.00   $25.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001TYD
Chemical Name:
Benzoyl chloride, 4-ethyl-
CAS Number:
16331-45-6
Molecular Formula:
C9H9ClO
Molecular Weight:
168.6202
MDL Number:
MFCD00000697
SMILES:
CCc1ccc(cc1)C(=O)Cl
Properties
Properties
 
BP:
235.4°C at 760 mmHg  
Form:
Liquid  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
137  
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:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.9  

Downstream Synthesis Route

[1]Patent:US2002/52326,2002,A1

[2]RecueildesTravauxChimiquesdesPays-Bas,1948,vol.67,p.309,325

[3]BulletindesSocietesChimiquesBelges,1966,vol.75,p.199-229

[4]ChemicalandPharmaceuticalBulletin,1992,vol.40,p.202-211

[5]MolecularCrystalsandLiquidCrystalsScienceandTechnology,SectionA:MolecularCrystalsandLiquidCrystals,1993,vol.231,p.107-118

[6]JournalofMedicinalChemistry,1995,vol.38,p.3062-3070

[7]Steroids,1997,vol.62,p.638-642

[8]IlFarmaco,2000,vol.55,p.397-405

[9]MonatsheftefurChemie,2004,vol.135,p.397-405

[10]ArchivderPharmazie,2004,vol.337,p.402-410

[11]Patent:US4588748,1986,A

[12]Patent:WO2008/55870,2008,A1.Locationinpatent:Page/Pagecolumn40-41

[13]Patent:US2008/242596,2008,A1.Locationinpatent:Page/Pagecolumn28

[14]JournalofMedicinalChemistry,2010,vol.53,p.3247-3261

[15]Patent:US2011/212994,2011,A1.Locationinpatent:Page/Pagecolumn17;18;19

[16]JournalofRamanSpectroscopy,2010,vol.41,p.381-390

[17]MedicinalChemistryResearch,2012,vol.21,p.3818-3825

[18]OrganicandBiomolecularChemistry,2013,vol.11,p.5310-5324

[19]AsianJournalofChemistry,2014,vol.26,p.883-886

[20]AsianJournalofChemistry,2015,vol.27,p.1883-1888

[21]OpenChemistry,2015,vol.13,p.1071-1080

[22]MolecularCrystalsandLiquidCrystals,2016,vol.624,p.1-10

[23]EuropeanJournalofMedicinalChemistry,2017,vol.131,p.107-125

[24]ChineseJournalofChemistry,2018,vol.36,p.1139-1142

[25]DaltonTransactions,2018,vol.47,p.17469-17478

[26]ChemMedChem,2019,vol.14,p.927-937

[27]OrganicLetters,2019,vol.21,p.2645-2649

[28]NaturalProductResearch,2019,vol.33,p.2453-2460

[29]JournalofOrganicChemistry,2019,vol.84,p.12835-12847

[30]BioorganicChemistry,2020,vol.94

[1]CanadianJournalofChemistry,1986,vol.64,p.769-772

[1]Makovec;Chiste;Bani;etal.[EuropeanJournalofMedicinalChemistry,1986,vol.21,#1,p.9-20]

6304-39-8    16331-45-6   
4-Ethyl-benzoicacidN'-octanoyl-hydrazide 

[1]JournalfurpraktischeChemie(Leipzig1954),1980,vol.322,p.933-944

[1]ChemicalandPharmaceuticalBulletin,1992,vol.40,p.202-211

Literature
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SDS
Tags:16331-45-6 Molecular Formula|16331-45-6 MDL|16331-45-6 SMILES|16331-45-6 Benzoyl chloride, 4-ethyl-
Catalog No.: AA001TYD
16331-45-6,MFCD00000697
16331-45-6 | Benzoyl chloride, 4-ethyl-
Pack Size: 1g
Purity: 98%
in stock
$24.00 $17.00
Pack Size: 5g
Purity: 99%
in stock
$36.00 $25.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001TYD
Chemical Name: Benzoyl chloride, 4-ethyl-
CAS Number: 16331-45-6
Molecular Formula: C9H9ClO
Molecular Weight: 168.6202
MDL Number: MFCD00000697
SMILES: CCc1ccc(cc1)C(=O)Cl
Properties
BP: 235.4°C at 760 mmHg  
Form: Liquid  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 137  
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: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.9  
Downstream Synthesis Route
619-64-7    16331-45-6 

[1]Patent:US2002/52326,2002,A1

[2]RecueildesTravauxChimiquesdesPays-Bas,1948,vol.67,p.309,325

[3]BulletindesSocietesChimiquesBelges,1966,vol.75,p.199-229

[4]ChemicalandPharmaceuticalBulletin,1992,vol.40,p.202-211

[5]MolecularCrystalsandLiquidCrystalsScienceandTechnology,SectionA:MolecularCrystalsandLiquidCrystals,1993,vol.231,p.107-118

[6]JournalofMedicinalChemistry,1995,vol.38,p.3062-3070

[7]Steroids,1997,vol.62,p.638-642

[8]IlFarmaco,2000,vol.55,p.397-405

[9]MonatsheftefurChemie,2004,vol.135,p.397-405

[10]ArchivderPharmazie,2004,vol.337,p.402-410

[11]Patent:US4588748,1986,A

[12]Patent:WO2008/55870,2008,A1.Locationinpatent:Page/Pagecolumn40-41

[13]Patent:US2008/242596,2008,A1.Locationinpatent:Page/Pagecolumn28

[14]JournalofMedicinalChemistry,2010,vol.53,p.3247-3261

[15]Patent:US2011/212994,2011,A1.Locationinpatent:Page/Pagecolumn17;18;19

[16]JournalofRamanSpectroscopy,2010,vol.41,p.381-390

[17]MedicinalChemistryResearch,2012,vol.21,p.3818-3825

[18]OrganicandBiomolecularChemistry,2013,vol.11,p.5310-5324

[19]AsianJournalofChemistry,2014,vol.26,p.883-886

[20]AsianJournalofChemistry,2015,vol.27,p.1883-1888

[21]OpenChemistry,2015,vol.13,p.1071-1080

[22]MolecularCrystalsandLiquidCrystals,2016,vol.624,p.1-10

[23]EuropeanJournalofMedicinalChemistry,2017,vol.131,p.107-125

[24]ChineseJournalofChemistry,2018,vol.36,p.1139-1142

[25]DaltonTransactions,2018,vol.47,p.17469-17478

[26]ChemMedChem,2019,vol.14,p.927-937

[27]OrganicLetters,2019,vol.21,p.2645-2649

[28]NaturalProductResearch,2019,vol.33,p.2453-2460

[29]JournalofOrganicChemistry,2019,vol.84,p.12835-12847

[30]BioorganicChemistry,2020,vol.94

67-56-1    16331-45-6    7364-20-7 

[1]CanadianJournalofChemistry,1986,vol.64,p.769-772

617-65-2    16331-45-6    104252-81-5 

[1]Makovec;Chiste;Bani;etal.[EuropeanJournalofMedicinalChemistry,1986,vol.21,#1,p.9-20]

6304-39-8    16331-45-6   
4-Ethyl-benzoicacidN'-octanoyl-hydrazide 

[1]JournalfurpraktischeChemie(Leipzig1954),1980,vol.322,p.933-944

16331-45-6    20059-73-8    122892-78-8 

[1]ChemicalandPharmaceuticalBulletin,1992,vol.40,p.202-211

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