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CAS Number: 387-43-9
4-fluoro-1H-indole

Structure

4-fluoro-1H-indole
Name: 4-fluoro-1H-indole
Synonyms:
General Information
Product Number: 387439

CAS Registry Number 387-43-9
Name:
1H-​Indole, 4-​fluoro-
Indole, 4-fluoro- (7CI,8CI)
4-Fluoro-1H-indole
4-Fluoroindole

 

Chemical Formula: C8H6FN
Exact Mass: 135.05
Molecular Weight: 135.14
m/z: 135.05 (100.0%), 136.05 (9.1%)

 

InChI:InChI=1S/C8H6FN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H

InChI Key:ZWKIJOPJWWZLDI-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=CN2)C(=C1)F

 

Thermal Properties Value Condition Note
Melting Point 30 °C   (6)CAS
Melting Point 29-30 °C   (7)CAS
Melting Point 29 °C   (8)CAS
Melting Point 28-29 °C   (9)IC
Melting Point 28-29 °C Solv: methanol (67-56-1); water (7732-18-5) (5)IC
Melting Point 26 °C   (1)ACD
Melting Point 25-28 °C   (10)IC
Melting Point 24-25 °C   (3)CAS

Specification

98%

References
  1. (1) Siu, Jason; Organic & Biomolecular Chemistry 2004, V2(2), P160-167 CAPLUS
  2. (3) Schlosser, Manfred; European Journal of Organic Chemistry 2006, (13), P2956-2969 CAPLUS
  3. (5) Somei, Masanori; Chemical & Pharmaceutical Bulletin 1985, V33(9), P3696-708 CAPLUS
  4. (6) Allen, F. L.; Journal of the Chemical Society 1955, P1283-6 CAPLUS
  5. (7) Kalir, Asher; Israel Journal of Chemistry 1968, V6(6), P927-32 CAPLUS
  6. (8) Bentov, M.; Israel Journal of Chemistry 1964, V2(1), P25-8 CAPLUS
  7. (9) Sugasawa, Tsutomu; Journal of Organic Chemistry 1979, V44(4), P578-86 CAPLUS
  8. (10) Kawase, Masami; Journal of Heterocyclic Chemistry 1987, V24(6), P1499-501 CAPLUS
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