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CAS Number: 5805-39-0
2-(1H-benzo[d]imidazol-2-yl)aniline

Structure

2-(1H-benzo[d]imidazol-2-yl)aniline
Name: 2-(1H-benzo[d]imidazol-2-yl)aniline
Synonyms:
General Information
Product Number: 5805390

CAS Registry Number 5805-39-0
Name:
Benzenamine, 2-?(1H-?benzimidazol-?2-?yl)?-
Benzimidazole, 2-(o-aminophenyl)- (6CI,7CI,8CI)
2-(1H-Benzimidazol-2-yl)benzenamine
2-(1H-Benzimidazol-2-yl)aniline
2-(2-Aminophenyl)-1H-benzimidazole
2-(2-Aminophenyl)benzimidazole

 

Chemical Formula: C13H11N3
Exact Mass: 209.10
Molecular Weight: 209.25
m/z: 209.10 (100.0%), 210.10 (14.2%), 210.09 (1.1%), 211.10 (1.1%)

 

InChI:InChI=1S/C13H11N3/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,14H2,(H,15,16)

InChI Key:YWNXHTNWOQHFRL-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)N

 

Thermal Properties Value Condition Note
Melting Point 228 °C   (14)IC
Melting Point 219 °C   (11)CAS
Melting Point 214.5-215.0 °C Solv: water (7732-18-5); ethanol (64-17-5) (13)CAS
Melting Point 214 °C   (11)CAS
Melting Point 213-214 °C   (15)CAS
Melting Point 213-214 °C   (1)CAS

Specification

98%

References
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  4. (9) Desai, N. C.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 2011, V50B(7), P941-945 CAPLUS
  5. (10) Booysen, Irvin; Journal of Coordination Chemistry 2008, V61(10), P1525-1531 CAPLUS
  6. (11) Pareek, Sonu; Heteroatom Chemistry 2008, V19(2), P154-157 CAPLUS
  7. (13) Lyakhova, Elena A.; European Journal of Medicinal Chemistry 2009, V44(8), P3305-3312 CAPLUS
  8. (14) Padmaja, J.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1987, V26B(10), P951-4 CAPLUS
  9. (15) Davis, Michael; Journal of the Chemical Society 1962, P945-54 CAPLUS
  10. (16) Taylor, Edward Curtis; Angewandte Chemie, International Edition in English 1967, V6(10), P878-9 CAPLUS
  11. (17) Leistner, S.; Pharmazie 1980, V35(5-6), P293-6 CAPLUS
  12. (18) Heidenreich, Holger; DE 3612440 A1 1987 CAPLUS
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