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Home >> Chemical Listing >> Page 1788 >> 1-(3-Nitro-Phenyl)-Butane-1,3-Dione

1-(3-Nitro-Phenyl)-Butane-1,3-Dione
[CAS# 5435-66-5]

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Identification
Name 1-(3-Nitro-Phenyl)-Butane-1,3-Dione
Synonyms 1-(3-Nitrophenyl)-1,3-Butanedione; Brn 2112278; Nsc21485
Molecular Structure CAS#: 5435-66-5, 1-(3-Nitro-Phenyl)-Butane-1,3-Dione
Molecular Formula C10H9NO4
Molecular Weight 207.19
CAS Registry Number 5435-66-5
SMILES C1=CC=C(C=C1C(CC(C)=O)=O)[N+]([O-])=O
InChI 1S/C10H9NO4/c1-7(12)5-10(13)8-3-2-4-9(6-8)11(14)15/h2-4,6H,5H2,1H3
InChIKey LENGHKYAWBMFDH-UHFFFAOYSA-N
Properties
Density 1.272g/cm3 (Cal.)
Boiling point 310.984°C at 760 mmHg (Cal.)
Flash point 141.52°C (Cal.)
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