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CAS Number: 248-72-6
11H-benzo[4,5]imidazo[2,1-a]isoindole

Structure

11H-benzo[4,5]imidazo[2,1-a]isoindole
Name: 11H-benzo[4,5]imidazo[2,1-a]isoindole
Synonyms:
General Information
Product Number: 248726

CAS Registry Number 248-72-6
Name:
11H-​Isoindolo[2,​1-​a]​benzimidazole
11H-Isoindolo[2,1-a]benzimidazol
Benzimidazole, o-benzylene-2,1-
NSC 163482
o-Benzylene-2,1-benzimidazole

 

Chemical Formula: C14H10N2
Exact Mass: 206.08
Molecular Weight: 206.24
m/z: 206.08 (100.0%), 207.09 (15.3%), 208.09 (1.1%)

 

InChI:InChI=1S/C14H10N2/c1-2-6-11-10(5-1)9-16-13-8-4-3-7-12(13)15-14(11)16/h1-8H,9H2

InChI Key:KXALWURUWCCXLJ-UHFFFAOYSA-N

Canonical SMILES:C1C2=CC=CC=C2C3=NC4=CC=CC=C4N31

 

Thermal Properties Value Condition Note
Melting Point 219 °C   (3)CAS
Melting Point 214-215 °C Solv: water (7732-18-5); ethanol (64-17-5) (4)CAS
Melting Point 194-196 °C Solv: hexane (110-54-3) (2)CAS
Melting Point 185 °C   (5)CAS
Melting Point 144.0-149.0 °C   (1)CAS
Melting Point See full text   (6)CAS

Specification

98%

References

(1) Allin, Steven M.; Tetrahedron 2006, V62(18), P4306-4316 CAPLUS
(2) Barbero, Nekane; Organic & Biomolecular Chemistry 2010, V8(4), P841-845 CAPLUS
(3) Babichev, F. S.; Ukrainskii Khimicheskii Zhurnal (Russian Edition) 1969, V35(6), P615-18 CAPLUS
(4) Arient, J.; Collection of Czechoslovak Chemical Communications 1964, V29(12), P3115-21 CAPLUS
(5) Betrabet, Mangesh V.; Journal of the Indian Chemical Society 1930, V7, P495-502 CAPLUS
(6) Porai-Koshits, B. A.; Zhurnal Obshchei Khimii 1943, V13, P339-52 CAPLUS

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