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CAS Number: 62208-67-7
3-aminobenzofuran-2-carbonitrile

Structure

 3-aminobenzofuran-2-carbonitrile
Name: 3-aminobenzofuran-2-carbonitrile
Synonyms:
General Information
Product Number: 62208677

CAS Registry Number 62208-67-7
Name:
2-?Benzofurancarbonitri?le, 3-?amino-
3-Amino-2-benzofurancarbonitrile

 

Chemical Formula: C9H6N2O
Exact Mass: 158.05
Molecular Weight: 158.16
m/z: 158.05 (100.0%), 159.05 (10.6%)

 

InChI:InChI=1S/C9H6N2O/c10-5-8-9(11)6-3-1-2-4-7(6)12-8/h1-4H,11H2

InChI Key:KPLPXBCQZSGRGU-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=C(O2)C#N)N

 

Thermal Properties Value Condition Note
Melting Point 154-155 °C   (2)IC
Melting Point 149 °C Solv: ligroine (8032-32-4) (4)CAS
Melting Point 149 °C   (5)IC

Specification

98%
References
  1. (2) Hirota, Takashi; Journal of Heterocyclic Chemistry 1991, V28(2), P263-7 CAPLUS
  2. (4) Basavaraja, K. M.; Indian Journal of Heterocyclic Chemistry 2007, V17(1), P27-32 CAPLUS
  3. (5) Sangapure, S. S.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1976, V14B(9), P688-91 CAPLUS
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