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CAS Number: 16136-52-0
1H-indole-4-carbonitrile

Structure

1H-indole-4-carbonitrile
Name: 1H-indole-4-carbonitrile
Synonyms:
General Information
Product Number: 16136520

CAS Registry Number 16136-52-0
Name:
1H-?Indole-?4-?carbonitrile
Indole-4-carbonitrile (6CI,8CI)
4-Cyanoindole

 

Chemical Formula: C9H6N2
Exact Mass: 142.05
Molecular Weight: 142.16
m/z: 142.05 (100.0%), 143.06 (9.8%)

 

InChI:InChI=1S/C9H6N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H

InChI Key:CEUFGDDOMXCXFW-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C2C=CNC2=C1)C#N

 

Thermal Properties Value Condition Note
Melting Point 120.5-121.5 °C Solv: methanol (67-56-1); water (7732-18-5) (4)IC
Melting Point 120-121 °C   (5)CAS
Melting Point 119-120 °C   (6)IC
Melting Point 119-120 °C   (3)IC
Melting Point 117-118 °C Solv: water (7732-18-5) (7)CAS
Melting Point 116-117 °C   (8)IC
Melting Point 110-120 °C Solv: benzene (71-43-2); hexane (110-54-3) (9)IC

Specification

98%

References
  1. (3) Clark, Robin D.; Journal of Heterocyclic Chemistry 1985, V22(1), P121-5 CAPLUS
  2. (4) Somei, Masanori; Chemical & Pharmaceutical Bulletin 1981, V29(11), P3145-57 CAPLUS
  3. (5) Uhle, Frederick C.; Journal of the American Chemical Society 1949, V71, P761-6 CAPLUS
  4. (6) Clark, Robin D.; Journal of Heterocyclic Chemistry 1983, V20(5), P1393-5 CAPLUS
  5. (7) Acheson, R. M.; Journal of the Chemical Society 1962, P1148-57 CAPLUS
  6. (8) Ponticello, Gerald S.; Journal of Organic Chemistry 1979, V44(22), P4003-5 CAPLUS
  7. (9) Ananthanarayanan, C. V.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1977, V15(8), P710-14 CAPLUS
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