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57928-96-8,MFCD00832129
Catalog No.:AA00EL61

57928-96-8 | 4-(2-Hydroxyethoxy)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$218.00   $153.00
- +
5g
96%
in stock  
$631.00   $442.00
- +
10g
96%
in stock  
$956.00   $669.00
- +
25g
96%
in stock  
$1,902.00 $1,332.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00EL61
Chemical Name:
4-(2-Hydroxyethoxy)benzonitrile
CAS Number:
57928-96-8
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00832129
SMILES:
OCCOc1ccc(cc1)C#N
Properties
Computed Properties
 
Complexity:
165  
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:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.9  

Downstream Synthesis Route

[1]Hu,Zhongping;Zhang,Shasha;Zhou,Weicheng;Ma,Xiang;Xiang,Guangya[BioorganicandMedicinalChemistryLetters,2017,vol.27,#8,p.1854-1858]

[2]Battisti,UmbertoMaria;Bratteby,KlasErik;García-Vázquez,Rocío;Herth,MatthiasM.;Hvass,Lars;Jørgensen,JesperTranekjær;Kjær,Andreas;Shalgunov,Vladimir[Pharmaceuticals,2022,vol.15,#2]

[3]Kihara,Nobuhiro;Hashimoto,Makiko;Takata,Toshikazu[OrganicLetters,2004,vol.6,#11,p.1693-1696]

[4]Strydom;Bergh;Petzer[Arzneimittel-Forschung/DrugResearch,2012,vol.62,#11,p.513-518]

[5]Xu,Jun;Peng,Chao;Yao,Bolin;Xu,Hua-Jian;Xie,Qiang[JournalofOrganicChemistry,2022,vol.87,#9,p.6471-6478]

Literature
Quotation Request
Company Name:
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Contact Person:
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Email:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:57928-96-8 Molecular Formula|57928-96-8 MDL|57928-96-8 SMILES|57928-96-8 4-(2-Hydroxyethoxy)benzonitrile
Catalog No.: AA00EL61
57928-96-8,MFCD00832129
57928-96-8 | 4-(2-Hydroxyethoxy)benzonitrile
Pack Size： 1g
Purity： 96%
in stock
$218.00 $153.00
Pack Size： 5g
Purity： 96%
in stock
$631.00 $442.00
Pack Size： 10g
Purity： 96%
in stock
$956.00 $669.00
Pack Size： 25g
Purity： 96%
in stock
$1,902.00 $1,332.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00EL61
Chemical Name: 4-(2-Hydroxyethoxy)benzonitrile
CAS Number: 57928-96-8
Molecular Formula: C9H9NO2
Molecular Weight: 163.1733
MDL Number: MFCD00832129
SMILES: OCCOc1ccc(cc1)C#N
Properties
Complexity: 165  
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: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.9  
Downstream Synthesis Route
767-00-0    540-51-2    57928-96-8 

[1]Hu,Zhongping;Zhang,Shasha;Zhou,Weicheng;Ma,Xiang;Xiang,Guangya[BioorganicandMedicinalChemistryLetters,2017,vol.27,#8,p.1854-1858]

[2]Battisti,UmbertoMaria;Bratteby,KlasErik;García-Vázquez,Rocío;Herth,MatthiasM.;Hvass,Lars;Jørgensen,JesperTranekjær;Kjær,Andreas;Shalgunov,Vladimir[Pharmaceuticals,2022,vol.15,#2]

[3]Kihara,Nobuhiro;Hashimoto,Makiko;Takata,Toshikazu[OrganicLetters,2004,vol.6,#11,p.1693-1696]

[4]Strydom;Bergh;Petzer[Arzneimittel-Forschung/DrugResearch,2012,vol.62,#11,p.513-518]

[5]Xu,Jun;Peng,Chao;Yao,Bolin;Xu,Hua-Jian;Xie,Qiang[JournalofOrganicChemistry,2022,vol.87,#9,p.6471-6478]

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