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CAS Number: 6960-42-5
7-nitro-1H-indole

Structure

7-nitro-1H-indole
Name: 7-nitro-1H-indole
Synonyms:
General Information
Product Number: 6960425

CAS Registry Number 6960-42-5
Name:
1H-?Indole, 7-?nitro-
Indole, 7-nitro- (6CI,7CI,8CI)
7-Nitro-1H-indole
7-Nitroindole
NSC 69874

 

Chemical Formula: C8H6N2O2
Exact Mass: 162.04
Molecular Weight: 162.15
m/z: 162.04 (100.0%), 163.05 (8.8%)

 

InChI:InChI=1S/C8H6N2O2/c11-10(12)7-3-1-2-6-4-5-9-8(6)7/h1-5,9H

InChI Key:LZJGQIVWUKFTRD-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C(=C1)[N+](=O)[O-])NC=C2

 

Thermal Properties Value Condition Note
Boiling Point 170-175 °C   (1)CAS
Melting Point 113 °C Solv: ligroine (8032-32-4) (1)CAS
Melting Point 101 °C Solv: methanol (67-56-1); water (7732-18-5) (6)IC
Melting Point 97-98 °C   (8)IC
Melting Point 96-98 °C   (2)CAS
Melting Point 95-97 °C Solv: ethanol, 40% (64-17-5) (9)CAS
Melting Point 95-96 °C   (10)CAS
Melting Point 94-97 °C   (11)CAS

Specification

98%

References
  1. (1) Hughes, Gordon K.; Journal and Proceedings of the Royal Society of New South Wales 1939, V72, P209-20 CAPLUS
  2. (2) Fors, Brett P.; Journal of the American Chemical Society 2009, V131(36), P12898-12899 CAPLUS
  3. (3) Zielinski, Tomasz; Tetrahedron 2008, V64(3), P568-574 CAPLUS
  4. (6) Kaiya, Toyo; Tetrahedron 1985, V41(3), P511-18 CAPLUS
  5. (8) Somei, Masanori; Heterocycles 1989, V29(4), P643-8 CAPLUS
  6. (9) Thesing, Jan; Chemische Berichte 1962, V95, P2205-11 CAPLUS
  7. (10) Parmerter, Stanley M.; Journal of the American Chemical Society 1958, V80, P4621-2 CAPLUS
  8. (11) Thesing, Jan; DE 1123668 1962 CAPLUS
  9. (12) GB 919864 1963 CAPLUS
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