Name: Name:4-Methyl-2-(trifluoromethyl)benzonitrile
Brand: AABLOCKS
SKU: AA002S4K
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA002S4K

Chemical Name: 4-Methyl-2-(trifluoromethyl)benzonitrile

CAS Number: 261952-05-0

Molecular Formula: C9H6F3N

Molecular Weight: 185.1458

MDL Number: MFCD01631596

SMILES: N#Cc1ccc(cc1C(F)(F)F)C

Properties

Complexity: 225

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: 4

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 0

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.9

Downstream Synthesis Route

261952-05-0

933781-80-7

[1]Lillich,FelixF.;Willems,Sabine;Ni,Xiaomin;Kilu,Whitney;Borkowsky,Carmen;Brodsky,Mirko;Kramer,JanS.;Brunst,Steffen;Hernandez-Olmos,Victor;Heering,Jan;Schierle,Simone;Kestner,Roxane-I.;Mayser,FranziskaM.;Helmstädter,Moritz;Göbel,Tamara;Weizel,Lilia;Namgaladze,Dmitry;Kaiser,Astrid;Steinhilber,Dieter;Pfeilschifter,Waltraud;Kahnt,AstridS.;Proschak,Anna;Chaikuad,Apirat;Knapp,Stefan;Merk,Daniel;Proschak,Ewgenij[JournalofMedicinalChemistry,2021,vol.64,#23,p.17259-17276]

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2010/85581,2010,A1Locationinpatent:Page/Pagecolumn132-133

[3]CurrentPatentAssignee:SANOFI-WO2007/39176,2007,A1Locationinpatent:Page/Pagecolumn67

[4]Quattropani,Anna;Sauer,WolfgangH.B.;Crosignani,Stefano;Dorbais,Jerome;Gerber,Patrick;Gonzalez,Jerome;Marin,Delphine;Muzerelle,Mathilde;Beltran,Fanny;Nichols,Anthony;Georgi,Katrin;Schneider,Manfred;Vitte,Pierre-Alain;Eligert,Valerie;Novo-Perez,Laurence;Hantson,Jennifer;Nock,Sebastien;Carboni,Susanna;DeSouza,AdrianoLuisSoares;Arrighi,Jean-François;Boschert,Ursula;Bombrun,Agnes[ChemMedChem,2015,vol.10,#4,p.688-714]

261952-05-0

1236189-54-0

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2010/85581,2010,A1Locationinpatent:Page/Pagecolumn136-137

[2]CurrentPatentAssignee:BAYERAG-WO2016/71216,2016,A1Locationinpatent:Page/Pagecolumn201

261952-05-0

124-38-9

1402446-14-3

[1]CurrentPatentAssignee:PFIZERINC-WO2014/53967,2014,A1Locationinpatent:Page/Pagecolumn162

261952-05-0

C16H19F3N2O2

[1]Quattropani,Anna;Sauer,WolfgangH.B.;Crosignani,Stefano;Dorbais,Jerome;Gerber,Patrick;Gonzalez,Jerome;Marin,Delphine;Muzerelle,Mathilde;Beltran,Fanny;Nichols,Anthony;Georgi,Katrin;Schneider,Manfred;Vitte,Pierre-Alain;Eligert,Valerie;Novo-Perez,Laurence;Hantson,Jennifer;Nock,Sebastien;Carboni,Susanna;DeSouza,AdrianoLuisSoares;Arrighi,Jean-François;Boschert,Ursula;Bombrun,Agnes[ChemMedChem,2015,vol.10,#4,p.688-714]

261952-05-0

tert-butyl2-((4-(N’-hydroxycarbamimidoyl)-3-(trifluoromethyl)benzyl)(methyl)amino)acetate

[1]Quattropani,Anna;Sauer,WolfgangH.B.;Crosignani,Stefano;Dorbais,Jerome;Gerber,Patrick;Gonzalez,Jerome;Marin,Delphine;Muzerelle,Mathilde;Beltran,Fanny;Nichols,Anthony;Georgi,Katrin;Schneider,Manfred;Vitte,Pierre-Alain;Eligert,Valerie;Novo-Perez,Laurence;Hantson,Jennifer;Nock,Sebastien;Carboni,Susanna;DeSouza,AdrianoLuisSoares;Arrighi,Jean-François;Boschert,Ursula;Bombrun,Agnes[ChemMedChem,2015,vol.10,#4,p.688-714]

261952-05-0 | 4-Methyl-2-(trifluoromethyl)benzonitrile