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170737-93-6,MFCD08445710
Catalog No.:AA003BJX

170737-93-6 | 2-(2-Chloro-4-methoxyphenyl)acetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$33.00   $23.00
- +
1g
95%
in stock  
$126.00   $88.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003BJX
Chemical Name:
2-(2-Chloro-4-methoxyphenyl)acetonitrile
CAS Number:
170737-93-6
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
MDL Number:
MFCD08445710
SMILES:
N#CCc1ccc(cc1Cl)OC
Properties
Properties
 
BP:
300.749°C at 760 mmHg  
Form:
Solid  
MP:
42-44 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
186  
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:
2.4  

Downstream Synthesis Route

[1]Gilligan,PaulJ.;Baldauf,Caryn;Cocuzza,Anthony;Chidester,Dennis;Zaczek,Robert;Fitzgerald,LawrenceW.;McElroy,John;Smith,MarkA.;Shen;Saye,JoAnne;Christ,David;Trainor,George;Robertson,DavidW.;Hartig,Paul[BioorganicandMedicinalChemistry,2000,vol.8,#1,p.181-189]

[2]Locationinpatent:experimentalpartSaito,Tetsuji;Obitsu,Tetsuo;Kondo,Takashi;Matsui,Toshiaki;Nagao,Yuuki;Kusumi,Kensuke;Matsumura,Naoya;Ueno,Sonoko;Kishi,Akihiro;Katsumata,Seishi;Kagamiishi,Yoshifumi;Nakai,Hisao;Toda,Masaaki[BioorganicandMedicinalChemistry,2011,vol.19,#18,p.5432-5445]

[1]Gilligan,PaulJ.;Baldauf,Caryn;Cocuzza,Anthony;Chidester,Dennis;Zaczek,Robert;Fitzgerald,LawrenceW.;McElroy,John;Smith,MarkA.;Shen;Saye,JoAnne;Christ,David;Trainor,George;Robertson,DavidW.;Hartig,Paul[BioorganicandMedicinalChemistry,2000,vol.8,#1,p.181-189]

[2]Saito,Tetsuji;Obitsu,Tetsuo;Kondo,Takashi;Matsui,Toshiaki;Nagao,Yuuki;Kusumi,Kensuke;Matsumura,Naoya;Ueno,Sonoko;Kishi,Akihiro;Katsumata,Seishi;Kagamiishi,Yoshifumi;Nakai,Hisao;Toda,Masaaki[BioorganicandMedicinalChemistry,2011,vol.19,#18,p.5432-5445]

170737-93-6   
2,5-dimethyl-3-(2-chloro-4-methoxyphenyl)-7-chloropyrazolo1,5-apyrimidine 

[1]Gilligan,PaulJ.;Baldauf,Caryn;Cocuzza,Anthony;Chidester,Dennis;Zaczek,Robert;Fitzgerald,LawrenceW.;McElroy,John;Smith,MarkA.;Shen;Saye,JoAnne;Christ,David;Trainor,George;Robertson,DavidW.;Hartig,Paul[BioorganicandMedicinalChemistry,2000,vol.8,#1,p.181-189]

170737-93-6   
3-(2-chloro-4-methoxy-phenyl)-2,5-dimethyl-4<i>H</i>-pyrazolo1,5-<i>a</i>pyrimidin-7-one 

[1]Gilligan,PaulJ.;Baldauf,Caryn;Cocuzza,Anthony;Chidester,Dennis;Zaczek,Robert;Fitzgerald,LawrenceW.;McElroy,John;Smith,MarkA.;Shen;Saye,JoAnne;Christ,David;Trainor,George;Robertson,DavidW.;Hartig,Paul[BioorganicandMedicinalChemistry,2000,vol.8,#1,p.181-189]

170737-93-6   
3-(2-chloro-4-methoxy-phenyl)-2,5-dimethyl-pyrazolo1,5-<i>a</i>pyrimidin-7-yl-diethyl-amine 

[1]Gilligan,PaulJ.;Baldauf,Caryn;Cocuzza,Anthony;Chidester,Dennis;Zaczek,Robert;Fitzgerald,LawrenceW.;McElroy,John;Smith,MarkA.;Shen;Saye,JoAnne;Christ,David;Trainor,George;Robertson,DavidW.;Hartig,Paul[BioorganicandMedicinalChemistry,2000,vol.8,#1,p.181-189]

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Tags:170737-93-6 Molecular Formula|170737-93-6 MDL|170737-93-6 SMILES|170737-93-6 2-(2-Chloro-4-methoxyphenyl)acetonitrile
Catalog No.: AA003BJX
170737-93-6,MFCD08445710
170737-93-6 | 2-(2-Chloro-4-methoxyphenyl)acetonitrile
Pack Size： 100mg
Purity： 95%
in stock
$33.00 $23.00
Pack Size： 1g
Purity： 95%
in stock
$126.00 $88.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003BJX
Chemical Name: 2-(2-Chloro-4-methoxyphenyl)acetonitrile
CAS Number: 170737-93-6
Molecular Formula: C9H8ClNO
Molecular Weight: 181.6189
MDL Number: MFCD08445710
SMILES: N#CCc1ccc(cc1Cl)OC
Properties
BP: 300.749°C at 760 mmHg  
Form: Solid  
MP: 42-44 °C  
Storage: Keep in dry area;2-8℃;  
Complexity: 186  
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: 2.4  
Downstream Synthesis Route
141-78-6    170737-93-6    441060-95-3 

[1]Gilligan,PaulJ.;Baldauf,Caryn;Cocuzza,Anthony;Chidester,Dennis;Zaczek,Robert;Fitzgerald,LawrenceW.;McElroy,John;Smith,MarkA.;Shen;Saye,JoAnne;Christ,David;Trainor,George;Robertson,DavidW.;Hartig,Paul[BioorganicandMedicinalChemistry,2000,vol.8,#1,p.181-189]

[2]Locationinpatent:experimentalpartSaito,Tetsuji;Obitsu,Tetsuo;Kondo,Takashi;Matsui,Toshiaki;Nagao,Yuuki;Kusumi,Kensuke;Matsumura,Naoya;Ueno,Sonoko;Kishi,Akihiro;Katsumata,Seishi;Kagamiishi,Yoshifumi;Nakai,Hisao;Toda,Masaaki[BioorganicandMedicinalChemistry,2011,vol.19,#18,p.5432-5445]

170737-93-6    817636-89-8 

[1]Gilligan,PaulJ.;Baldauf,Caryn;Cocuzza,Anthony;Chidester,Dennis;Zaczek,Robert;Fitzgerald,LawrenceW.;McElroy,John;Smith,MarkA.;Shen;Saye,JoAnne;Christ,David;Trainor,George;Robertson,DavidW.;Hartig,Paul[BioorganicandMedicinalChemistry,2000,vol.8,#1,p.181-189]

[2]Saito,Tetsuji;Obitsu,Tetsuo;Kondo,Takashi;Matsui,Toshiaki;Nagao,Yuuki;Kusumi,Kensuke;Matsumura,Naoya;Ueno,Sonoko;Kishi,Akihiro;Katsumata,Seishi;Kagamiishi,Yoshifumi;Nakai,Hisao;Toda,Masaaki[BioorganicandMedicinalChemistry,2011,vol.19,#18,p.5432-5445]

170737-93-6   
2,5-dimethyl-3-(2-chloro-4-methoxyphenyl)-7-chloropyrazolo1,5-apyrimidine 

[1]Gilligan,PaulJ.;Baldauf,Caryn;Cocuzza,Anthony;Chidester,Dennis;Zaczek,Robert;Fitzgerald,LawrenceW.;McElroy,John;Smith,MarkA.;Shen;Saye,JoAnne;Christ,David;Trainor,George;Robertson,DavidW.;Hartig,Paul[BioorganicandMedicinalChemistry,2000,vol.8,#1,p.181-189]

170737-93-6   
3-(2-chloro-4-methoxy-phenyl)-2,5-dimethyl-4<i>H</i>-pyrazolo1,5-<i>a</i>pyrimidin-7-one 

[1]Gilligan,PaulJ.;Baldauf,Caryn;Cocuzza,Anthony;Chidester,Dennis;Zaczek,Robert;Fitzgerald,LawrenceW.;McElroy,John;Smith,MarkA.;Shen;Saye,JoAnne;Christ,David;Trainor,George;Robertson,DavidW.;Hartig,Paul[BioorganicandMedicinalChemistry,2000,vol.8,#1,p.181-189]

170737-93-6   
3-(2-chloro-4-methoxy-phenyl)-2,5-dimethyl-pyrazolo1,5-<i>a</i>pyrimidin-7-yl-diethyl-amine 

[1]Gilligan,PaulJ.;Baldauf,Caryn;Cocuzza,Anthony;Chidester,Dennis;Zaczek,Robert;Fitzgerald,LawrenceW.;McElroy,John;Smith,MarkA.;Shen;Saye,JoAnne;Christ,David;Trainor,George;Robertson,DavidW.;Hartig,Paul[BioorganicandMedicinalChemistry,2000,vol.8,#1,p.181-189]

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