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CAS Number: 1074-86-8
1H-indole-4-carbaldehyde

Structure

1H-indole-4-carbaldehyde
Name: 1H-indole-4-carbaldehyde
Synonyms:
General Information
Product Number: 1074868
CAS Registry Number: 1074-86-8
Name:
1H-​Indole-​4-​carboxaldehyde
Indole-​4-​carboxaldehyde (7CI,​8CI); 4-​Formyl-​1H-​indole; 4-​Formylindole; 4-​Indolecarbaldehyde; NSC 337264 
 
Chemical Formula: C9H7NO
Exact Mass: 145.05
Molecular Weight: 145.16
m/z: 145.05 (100.0%), 146.06 (9.9%)
Elemental Analysis: C, 74.47; H, 4.86; N, 9.65; O, 11.02
 
InChI: InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H
InChIKey: JFDDFGLNZWNJTK-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C2C=CNC2=C1)C=O
 
Thermal Properties Value Condition Note
Melting Point 142 °C   (1)IC
Melting Point 141-143 °C   (6)CAS
Melting Point 140-142 °C   (7)CAS
Melting Point 140 °C   (2)IC
Melting Point 139-140 °C Solv: methanol (67-56-1); water (7732-18-5) (8)IC
Melting Point 138 °C Solv: dichloromethane (75-09-2) (5)IC

Specification

98%

References
  1. (1) Maehr, Hubert; Journal of Organic Chemistry 1981, V46(8), P1752-5 CAPLUS
  2. (2) Hatanaka, Naoto; Heterocycles 1986, V24(7), P1987-96 CAPLUS
  3. (3) Antoine, Maud; Journal of Enzyme Inhibition and Medicinal Chemistry 2008, V23(5), P686-695 CAPLUS
  4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  5. (5) Knefeli, Frank; Archiv der Pharmazie (Weinheim, Germany) 1990, V323(3), P145-55 CAPLUS
  6. (6) Plieninger, Hans; Chemische Berichte 1963, V96, P1618-29 CAPLUS
  7. (7) Hofmann, Albert; FR 1373316 1964 CAPLUS
  8. (8) Clark, Robin D.; Journal of Heterocyclic Chemistry 1985, V22(1), P121-5 CAPLUS
  9. (9) Somei, Masanori; Chemistry Letters 1980, (7), P813-16 CAPLUS
  10. (10) Hardegger, E.; Helvetica Chimica Acta 1954, V37, P1826-7 CAPLUS
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