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280070 Sigma-Aldrich

3,5-Heptanedione

97%

  • CAS Number 7424-54-6

  • Linear Formula H3CCH2COCH2COCH2CH3

  • Molecular Weight 128.17

  •  Beilstein/REAXYS Number 635979

  •  EC Number 231-054-5

  •  MDL number MFCD00015186

  •  PubChem Substance ID 24856926

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones,
Quality Level   100
assay   97%
refractive index   n20/D 1.456 (lit.)
bp   175-177 °C/754 mmHg (lit.)
density   0.946 g/mL at 25 °C (lit.)
SMILES string   CCC(=O)CC(=O)CC
InChI   1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3
InChI key   DGCTVLNZTFDPDJ-UHFFFAOYSA-N

Description

Application

3,5-Heptanedione has been used in:
• preparation of 3,5-diethylpyrazole hydrochloride
• enantioselective conjugate addition of 1,3-dicarbonyls to nitroolefins via nickel(II)-diamine catalysis

Packaging

5, 25 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS02  GHS02
Signal word 
Warning
Hazard statements 
RIDADR 
UN1224 - class 3 - PG 3 - Ketones, liquid, n.o.s., HI: all
WGK Germany 
WGK 3
Flash Point(F) 
135.0 °F - closed cup
Flash Point(C) 
57.2 °C - closed cup

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Protocols & Articles
Peer-Reviewed Papers
15

References

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