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CAS Number: 57543-66-5
2H-chromene-3-carbonitrile

Structure

2H-chromene-3-carbonitrile
Name: 2H-chromene-3-carbonitrile
Synonyms:
General Information
Product Number: 57543665

CAS Registry Number 57543-66-5
Name:
2H-?1-?Benzopyran-?3-?carbonitrile
3-Chromenecarbonitrile
3-Cyanochromene
NSC 279236

 

Chemical Formula: C10H7NO
Exact Mass: 157.05
Molecular Weight: 157.17
m/z: 157.05 (100.0%), 158.06 (10.9%)

 

InChI:InChI=1S/C10H7NO/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5H,7H2

InChI Key:NQOLOKKZYCSJRL-UHFFFAOYSA-N

Canonical SMILES:C1C(=CC2=CC=CC=C2O1)C#N

 

Thermal Properties Value Condition Note
Melting Point 53 °C   (3)CAS
Melting Point 50 °C   (4)CAS
Melting Point 48-49 °C   (5)CAS
Melting Point 48-49 °C   (6)IC
Melting Point 48-49 °C Solv: ethanol (64-17-5) (7)IC
Melting Point 47-48 °C   (2)IC
Melting Point 47 °C Solv: water (7732-18-5); ethanol (64-17-5) (8)IC
Melting Point 44-45 °C   (1)CAS

Specification

98%

References
  1. (1) Tsai, Jui-Chi; Journal of Organic Chemistry 2009, V74(22), P8798-8801 CAPLUS
  2. (2) Mouysset, Genevieve; European Journal of Medicinal Chemistry 1987, V22(6), P539-44 CAPLUS
  3. (3) Meenakshi, C.; International Journal of Chemical Sciences 2006, V4(1), P125-126 CAPLUS
  4. (4) Taylor, Helan V.; Journal of the Chemical Society 1950, P2724-5 CAPLUS
  5. (5) Bachman, G. Bryant; Journal of the American Chemical Society 1948, V70, P599-601 CAPLUS
  6. (6) Tanaka, Mamoru; Chemical & Pharmaceutical Bulletin 1978, V26(5), P1558-69 CAPLUS
  7. (7) Shimizu, Tomio; Bulletin of the Chemical Society of Japan 1981, V54(1), P217-22 CAPLUS
  8. (8) Gupta, R. C.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1982, V21B(4), P344-7 CAPLUS
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