4-isocyanato-1,3-benzodioxole

Modify Date: 2024-04-09 20:25:03

4-isocyanato-1,3-benzodioxole Structure
4-isocyanato-1,3-benzodioxole structure
 Common Name 4-isocyanato-1,3-benzodioxole
CAS Number 90049-79-9 Molecular Weight 163.13000
Density N/A Boiling Point N/A
Molecular Formula C8H5NO3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-isocyanato-1,3-benzodioxole
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C8H5NO3
Molecular Weight 163.13000
Exact Mass 163.02700
PSA 47.89000
LogP 1.38260
InChIKey YLMUUJFWZSLYNF-UHFFFAOYSA-N
SMILES O=C=Nc1cccc2c1OCO2

 Synthetic Route

Benzo[d][1,3]dioxole-4-carboxylic acid structure

Benzo[d][1,3]di...

CAS#:5768-39-8

~%

4-isocyanato-1,3-benzodioxole Structure

4-isocyanato-1,...

CAS#:90049-79-9

Literature: Maiti, Arup; Reddy, P. V. Narasimha; Sturdy, Megan; Marler, Laura; Pegan, Scott D.; Mesecar, Andrew D.; Pezzuto, John M.; Cushman, Mark Journal of Medicinal Chemistry, 2009 , vol. 52, # 7 p. 1873 - 1884

 Synonyms

1,3-Benzodioxole,4-isocyanato
2,3-Methylendioxy-1-phenyl-isocyansaeureester
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