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CAS Number: 399-06-4
4,4,4-trifluoro-1-(pyridin-4-yl)butane-1,3-dione

Structure

 4,4,4-trifluoro-1-(pyridin-4-yl)butane-1,3-dione
Name: 4,4,4-trifluoro-1-(pyridin-4-yl)butane-1,3-dione
Synonyms:
General Information
Product Number: 399064

CAS Registry Number 399-06-4
Name:
1,?3-?Butanedione, 4,?4,?4-?trifluoro-?1-?(4-?pyridinyl)?-
1,3-Butanedione, 4,4,4-trifluoro-1-(4-pyridyl)- (7CI,8CI)
4,4,4-Trifluoro-1-(4-pyridinyl)-1,3-butanedione
4,4,4-Trifluoro-1-pyridin-4-ylbutane-1,3-dione
NSC 42618

 

Chemical Formula: C9H6F3NO2
Exact Mass: 217.04
Molecular Weight: 217.14
m/z: 217.04 (100.0%), 218.04 (9.9%)

 

InChI:InChI=1S/C9H6F3NO2/c10-9(11,12)8(15)5-7(14)6-1-3-13-4-2-6/h1-4H,5H2

InChI Key:VVFWWIMDNOGGLM-UHFFFAOYSA-N

Canonical SMILES:C1=CN=CC=C1C(=O)CC(=O)C(F)(F)F

 

Thermal Properties Value Condition Note
Melting Point 213-214.5 °C   (2)CAS

Specification

98%
References
  1. (2) Levine, Robert; Journal of the American Chemical Society 1951, V73, P4478 CAPLUS
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