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91949-95-0,MFCD09929011
Catalog No.:AA00IGVX

91949-95-0 | 4-Isopropoxybenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$37.00   $26.00
- +
5g
98%
in stock  
$83.00   $58.00
- +
25g
98%
in stock  
$261.00   $183.00
- +
100g
98%
in stock  
$760.00 $532.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IGVX
Chemical Name:
4-Isopropoxybenzonitrile
CAS Number:
91949-95-0
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD09929011
SMILES:
CC(Oc1ccc(cc1)C#N)C
Properties
Properties
 
Form:
Solid  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
172  
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:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Reynaud,Pierre;Brion,Jean-Daniel;Nguyen-Tri-Xuong,Emmanuel;Davrinche,Catherine;Pieri,Francois;Arnold-Guerin,Marie-Luce[EuropeanJournalofMedicinalChemistry,1989,vol.24,p.427-434]

[1]Reynaud,Pierre;Brion,Jean-Daniel;Nguyen-Tri-Xuong,Emmanuel;Davrinche,Catherine;Pieri,Francois;Arnold-Guerin,Marie-Luce[EuropeanJournalofMedicinalChemistry,1989,vol.24,p.427-434]

[2]Lee,Jeewoo;Kang,Sang-Uk;Lim,Ju-Ok;Choi,Hyun-Kyung;Jin,Mi-Kyung;Toth,Attila;Pearce,LarryV.;Tran,Richard;Wang,Yun;Szabo,Tamas;Blumberg,PeterM.[BioorganicandMedicinalChemistry,2004,vol.12,#2,p.371-385]

[3]Xie,Hui;Ng,Danny;Savinov,SergeyN.;Dey,Barna;Kwong,PeterD.;Wyatt,Richard;SmithIII,AmosB.;Hendrickson,WayneA.[JournalofMedicinalChemistry,2007,vol.50,#20,p.4898-4908]

[1]Chen,Hao;Dong,Wenbo;Hu,Jianxiang;Rao,Li;Wang,Pei;Wang,Shengyao;Xiang,Yonggang;Yang,Yi[GreenChemistry,2021,vol.23,#16,p.5797-5805]

[2]Palucki;Wolfe;Buchwald[JournaloftheAmericanChemicalSociety,1997,vol.119,#14,p.3395-3396]

[3]MacQueen,PrestonM.;Tassone,JosephP.;Diaz,Carlos;Stradiotto,Mark[JournaloftheAmericanChemicalSociety,2018,vol.140,#15,p.5023-5027]

[4]Liu,Yi-Yin;Liang,Dong;Lu,Liang-Qiu;Xiao,Wen-Jing[ChemicalCommunications,2019,vol.55,#33,p.4853-4856]

[1]Dandapani,Sivaraman;Newsome,JefferyJ.;Curran,DennisP.[TetrahedronLetters,2004,vol.45,#35,p.6653-6656]

[2]Guo,Baodang;Huang,Shuping;Li,Jia;Li,Min;Liu,Xuanzhong;Rao,Yijian;Wu,Yawen;Yin,Huimin;Yuan,Zhenbo;Zhang,Yan[JournalofCatalysis,2021,vol.399,p.111-120]

[3]Kato,Terumasa;Matsuoka,Shin-Ichi;Suzuki,Masato[ChemicalCommunications,2016,vol.52,#55,p.8569-8572]

Literature
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SDS
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Tags:91949-95-0 Molecular Formula|91949-95-0 MDL|91949-95-0 SMILES|91949-95-0 4-Isopropoxybenzonitrile
Catalog No.: AA00IGVX
91949-95-0,MFCD09929011
91949-95-0 | 4-Isopropoxybenzonitrile
Pack Size： 1g
Purity： 98%
in stock
$37.00 $26.00
Pack Size： 5g
Purity： 98%
in stock
$83.00 $58.00
Pack Size： 25g
Purity： 98%
in stock
$261.00 $183.00
Pack Size： 100g
Purity： 98%
in stock
$760.00 $532.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00IGVX
Chemical Name: 4-Isopropoxybenzonitrile
CAS Number: 91949-95-0
Molecular Formula: C10H11NO
Molecular Weight: 161.2004
MDL Number: MFCD09929011
SMILES: CC(Oc1ccc(cc1)C#N)C
Properties
Form: Solid  
Storage: Room Temperature;  
Complexity: 172  
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: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.7  
Downstream Synthesis Route
64-17-5    91949-95-0    18101-90-1 

[1]Reynaud,Pierre;Brion,Jean-Daniel;Nguyen-Tri-Xuong,Emmanuel;Davrinche,Catherine;Pieri,Francois;Arnold-Guerin,Marie-Luce[EuropeanJournalofMedicinalChemistry,1989,vol.24,p.427-434]

767-00-0    75-26-3    91949-95-0 

[1]Reynaud,Pierre;Brion,Jean-Daniel;Nguyen-Tri-Xuong,Emmanuel;Davrinche,Catherine;Pieri,Francois;Arnold-Guerin,Marie-Luce[EuropeanJournalofMedicinalChemistry,1989,vol.24,p.427-434]

[2]Lee,Jeewoo;Kang,Sang-Uk;Lim,Ju-Ok;Choi,Hyun-Kyung;Jin,Mi-Kyung;Toth,Attila;Pearce,LarryV.;Tran,Richard;Wang,Yun;Szabo,Tamas;Blumberg,PeterM.[BioorganicandMedicinalChemistry,2004,vol.12,#2,p.371-385]

[3]Xie,Hui;Ng,Danny;Savinov,SergeyN.;Dey,Barna;Kwong,PeterD.;Wyatt,Richard;SmithIII,AmosB.;Hendrickson,WayneA.[JournalofMedicinalChemistry,2007,vol.50,#20,p.4898-4908]

623-00-7    67-63-0    91949-95-0 

[1]Chen,Hao;Dong,Wenbo;Hu,Jianxiang;Rao,Li;Wang,Pei;Wang,Shengyao;Xiang,Yonggang;Yang,Yi[GreenChemistry,2021,vol.23,#16,p.5797-5805]

[2]Palucki;Wolfe;Buchwald[JournaloftheAmericanChemicalSociety,1997,vol.119,#14,p.3395-3396]

[3]MacQueen,PrestonM.;Tassone,JosephP.;Diaz,Carlos;Stradiotto,Mark[JournaloftheAmericanChemicalSociety,2018,vol.140,#15,p.5023-5027]

[4]Liu,Yi-Yin;Liang,Dong;Lu,Liang-Qiu;Xiao,Wen-Jing[ChemicalCommunications,2019,vol.55,#33,p.4853-4856]

767-00-0    67-63-0    91949-95-0 

[1]Dandapani,Sivaraman;Newsome,JefferyJ.;Curran,DennisP.[TetrahedronLetters,2004,vol.45,#35,p.6653-6656]

[2]Guo,Baodang;Huang,Shuping;Li,Jia;Li,Min;Liu,Xuanzhong;Rao,Yijian;Wu,Yawen;Yin,Huimin;Yuan,Zhenbo;Zhang,Yan[JournalofCatalysis,2021,vol.399,p.111-120]

[3]Kato,Terumasa;Matsuoka,Shin-Ichi;Suzuki,Masato[ChemicalCommunications,2016,vol.52,#55,p.8569-8572]

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