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CAS Number: 99459-48-0
1-methyl-6-nitro-1H-indole

Structure

 1-methyl-6-nitro-1H-indole
Name: 1-methyl-6-nitro-1H-indole
Synonyms:
General Information
Product Number: 99459480

CAS Registry Number 99459-48-0
Name:
1H-?Indole, 1-?methyl-?6-?nitro-
Indole, 1-methyl-6-nitro- (6CI)
1-Methyl-6-nitro-1H-indole
1-Methyl-6-nitroindole

 

Chemical Formula: C9H8N2O2
Exact Mass: 176.06
Molecular Weight: 176.17
m/z: 176.06 (100.0%), 177.06 (10.6%)

 

InChI:InChI=1S/C9H8N2O2/c1-10-5-4-7-2-3-8(11(12)13)6-9(7)10/h2-6H,1H3

InChI Key:AYGFFYXMDIOSFO-UHFFFAOYSA-N

Canonical SMILES:CN1C=CC2=C1C=C(C=C2)[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Boiling Point 140-160 °C Press: 0.1 Torr (1)CAS
Melting Point 76.5-78.5 °C Solv: ligroine (8032-32-4) (3)CAS
Melting Point 60-61 °C   (4)CAS

Specification

98%
References
  1. (1) Zbiral, Erich; Monatshefte fuer Chemie 1967, V98(3), P666-78 CAPLUS
  2. (3) Terent'ev, A. P.; Doklady Akademii Nauk SSSR 1958, V118, P302-5 CAPLUS
  3. (4) Wang, Min; Nuclear Medicine and Biology 2010, V37(7), P763-775 CAPLUS
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