Name: Name:5-Fluoro-2-methylphenyl isocyanate
Brand: AABLOCKS
SKU: AA00346Z
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00346Z

Chemical Name: 5-Fluoro-2-methylphenyl isocyanate

CAS Number: 67191-93-9

Molecular Formula: C8H6FNO

Molecular Weight: 151.1377

MDL Number: MFCD00037072

SMILES: Cc1ccc(cc1N=C=O)F

Properties

Form: Liquid

Storage: 2-8℃;Keep in dry area;

Complexity: 177

Covalently-Bonded Unit Count: 1

Heavy Atom Count: 11

Hydrogen Bond Acceptor Count: 3

Rotatable Bond Count: 1

XLogP3: 3.2

Downstream Synthesis Route

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[1]DeLucca,GeorgeV.;Ui,TaeKim;Vargo,BrianJ.;Duncia,JohnV.;SantellaIII,JosephB.;Gardner,DanielS.;Zheng,Changsheng;Liauw,Ann;Wang,Zhang;Emmett,George;Wacker,DeanA.;Welch,PatriciaK.;Covington,Maryanne;Stowell,NicoleC.;Wadman,EricA.;Das,AnukM.;Davies,Paul;Yeleswaram,Swamy;Graden,DanielleM.;Solomon,KimberlyA.;Newton,RobertC.;Trainor,GeorgeL.;Decicco,CarlP.;Ko,SooS.[JournalofMedicinalChemistry,2005,vol.48,#6,p.2194-2211]

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[1]Locationinpatent:experimentalpartMuro,Fumihito;Iimura,Shin;Yoneda,Yoshiyuki;Chiba,Jun;Watanabe,Toshiyuki;Setoguchi,Masaki;Iigou,Yutaka;Takayama,Gensuke;Yokoyama,Mika;Takashi,Tohru;Nakayama,Atsushi;Machinaga,Nobuo[BioorganicandMedicinalChemistry,2008,vol.16,#23,p.9991-10000]

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[1]Locationinpatent:experimentalpartJadhav,RavindraD.;Kadam,KishorkumarS.;Kandre,Shivaji;Guha,Tandra;Reddy,M.MaheshKumar;Brahma,ManojaK.;Deshmukh,NitinJ.;Dixit,Amol;Doshi,Lalit;Potdar,Nisha;Enose,ArnoA.;Vishwakarma,RamA.;Sivaramakrishnan;Srinivasan,Shaila;Nemmani,KumarV.S.;Gupte,Amol;Gangopadhyay,AshokK.;Sharma,Rajiv[EuropeanJournalofMedicinalChemistry,2012,vol.54,p.324-342]

67191-93-9 | 5-Fluoro-2-methylphenyl isocyanate