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CAS Number: 13314-85-7
2-methyl-1H-indol-5-ol

Structure

2-methyl-1H-indol-5-ol
Name: 2-methyl-1H-indol-5-ol
Synonyms:
General Information
Product Number: 13314857
CAS Registry Number: 13314-85-7
Name:
        1H-​Indol-​5-​ol, 2-​methyl-
        Indol-​5-​ol, 2-​methyl- (6CI,​7CI,​8CI); 2-​Methyl-​1H-​indol-​5-​ol; 2-​Methyl-​5-​hydroxyindole; 5-​Hydroxy-​2-​methylindole 
 
Chemical Formula: C9H9NO
Exact Mass: 147.07
Molecular Weight: 147.17
m/z: 147.07 (100.0%), 148.07 (10.2%)
Elemental Analysis: C, 73.45; H, 6.16; N, 9.52; O, 10.87
 
InChI: InChI=1S/C9H9NO/c1-6-4-7-5-8(11)2-3-9(7)10-6/h2-5,10-11H,1H3
InChIKey: MDWJZBVEVLTXDE-UHFFFAOYSA-N
Canonical SMILES : CC1=CC2=C(N1)C=CC(=C2)O
 
Thermal Properties Value Condition Note
Melting Point 205-206 °C Solv: methanol (67-56-1) (4)CAS
Melting Point 188 °C   (5)CAS
Melting Point 184-186 °C   (6)CAS
Melting Point 158-160 °C   (4)CAS
Melting Point 134 °C   (7)CAS

Specification

98%

References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (2) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  3. (3) Marx, Matthew A.; WO 2003000194 A2 2003 CAPLUS
  4. (4) Huang, Yun-Sheng; Research on Chemical Intermediates 2010, V36(8), P975-983 CAPLUS
  5. (5) Nenitzesch, Costin D.; Bull soc. chim. Romania 1929, V11, P37-43 CAPLUS
  6. (6) Bell, John B., Jr.; Journal of Organic Chemistry 1948, V13, P547-53 CAPLUS
  7. (7) Beer, R. J. S.; Journal of the Chemical Society 1951, P2029-32 CAPLUS
  8. (8) Wrotek, Jerzy; PL 59222 1970 CAPLUS
  9. (9) Pasini, Claudio; Gazzetta Chimica Italiana 1963, V93(8-9), P1056-65 CAPLUS
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