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41221-47-0,MFCD00037077
Catalog No.:AA003RPV

41221-47-0 | Methyl 3-isocyanatobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$141.00   $99.00
- +
5g
97%
in stock  
$299.00   $209.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003RPV
Chemical Name:
Methyl 3-isocyanatobenzoate
CAS Number:
41221-47-0
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD00037077
SMILES:
O=C=Nc1cccc(c1)C(=O)OC
Properties
Properties
 
BP:
271.4°C at 760 mmHg  
Form:
Solid  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
233  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
XLogP3:
3  

Downstream Synthesis Route

[1]Walpole;Ko;Brown;Beattie;Campbell;Dickenson;Ewan;Hughes;Lemaire;Lerpiniere;Patel;Urban[JournalofMedicinalChemistry,1998,vol.41,#17,p.3159-3173]

[2]CurrentPatentAssignee:DUPONTDENEMOURSINC-US2680730,1950,A

[1]Shiosaki;Lin;Kopecka;Tufano;Bianchi;Miller;Witte;Nadzan[JournalofMedicinalChemistry,1991,vol.34,#9,p.2837-2842]Shiosaki;ChunWelLin;Kopecka;Bianchi;Miller;Stashko;Witte[JournalofMedicinalChemistry,1997,vol.40,#7,p.1169-1172]

methyl3-(azidocarbonyl)benzoate 
  41221-47-0 

[1]Palmer;Rewcastle;Thompson;Boyd;Showalter;Sercel;Fry;Kraker;Denny[JournalofMedicinalChemistry,1995,vol.38,#1,p.58-67]

13637-38-2    41221-47-0   
3-(1-Methyl-2-thioxo-2,3-dihydro-1H-indole-3-carbonyl)-amino-benzoicacidmethylester 

[1]Palmer;Rewcastle;Thompson;Boyd;Showalter;Sercel;Fry;Kraker;Denny[JournalofMedicinalChemistry,1995,vol.38,#1,p.58-67]

[1]Satoh,Masato;Okamoto,Yoshinori;Koshio,Hiroyuki;Ohta,Mitsuaki;Nishida,Akito;Akuzawa,Shinobu;Miyata,Keiji;Mase,Toshiyasu;Semple,Graeme[ChemicalandPharmaceuticalBulletin,1996,vol.44,#7,p.1412-1414]

Literature
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SDS
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