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CAS Number: 826-67-5
1,3,4,5-tetrahydrobenzo[cd]indole

Structure

1,3,4,5-tetrahydrobenzo[cd]indole
Name: 1,3,4,5-tetrahydrobenzo[cd]indole
Synonyms:
General Information
Product Number: 826675

CAS Registry Number 826-67-5
Name:
Benz[cd]?indole, 1,?3,?4,?5-?tetrahydro-
1H-Indole, 3,4-(1,3-propanediyl)-

 

Chemical Formula: C11H11N
Exact Mass: 157.09
Molecular Weight: 157.21
m/z: 157.09 (100.0%), 158.09 (12.3%)

 

InChI:InChI=1S/C11H11N/c1-3-8-4-2-6-10-11(8)9(5-1)7-12-10/h2,4,6-7,12H,1,3,5H2

InChI Key:GESDFCMCXNVUOI-UHFFFAOYSA-N

Canonical SMILES:C1CC2=C3C(=CNC3=CC=C2)C1

 

Thermal Properties Value Condition Note
Melting Point 57-59 °C Solv: ligroine (8032-32-4) (7)CAS
Melting Point 57-58 °C   (8)CAS
Melting Point 55-57 °C   (9)CAS
Melting Point 55-56 °C   (10)CAS
Melting Point 55-56 °C Solv: water (7732-18-5); ethanol (64-17-5); ligroine (8032-32-4) (11)CAS

Specification

98%

References
  1. (3) Greshock, Thomas J.; Journal of the American Chemical Society 2006, V128(15), P4946-4947 CAPLUS
  2. (4) Petronijevic, Filip; Chemical Communications (Cambridge, United Kingdom) 2009, (1), P104-106 CAPLUS
  3. (5) Beck, Anthony L.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1990, (3), P689-93 CAPLUS
  4. (6) Ito, Yoshihiko; Bulletin of the Chemical Society of Japan 1984, V57(1), P73-84 CAPLUS
  5. (7) Grob, C. A.; Helvetica Chimica Acta 1950, V33, P1955-60 CAPLUS
  6. (8) Plieninger, Hans; Justus Liebigs Annalen der Chemie 1964, V680, P69-82 CAPLUS
  7. (9) Pelz, K.; Collection of Czechoslovak Chemical Communications 1968, V33(7), P2111-20 CAPLUS
  8. (10) Uhle, Frederick C.; Journal of the American Chemical Society 1949, V71, P761-6 CAPLUS
  9. (11) Uhle, Frederick C.; Journal of the American Chemical Society 1955, V77, P3334-7 CAPLUS
  10. (12) Moody, Christopher J.; Tetrahedron Letters 1989, V30(30), P4017-18 CAPLUS
  11. (13) Barltrop, J. A.; Journal of the Chemical Society 1954, P3403-6 CAPLUS
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