1,3-Butanedione, 1-(o-nitrophenyl)-

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Names

[ CAS No. ]:
5463-78-5

[ Name ]:
1,3-Butanedione, 1-(o-nitrophenyl)-

[Synonym ]:
WLN: WNR B1VV1
1-(2-nitro-phenyl)-butane-1,3-dione
1-(o-Nitrophenyl)-1,3-butanedione
2-Nitro-benzoylaceton
2-nitrobenzoylacetone
1,3-BUTANEDIONE,1-(o-NITROPHENYL)
o-Nitro-benzoylaceton
1-(2-Nitro-phenyl)-butan-1,3-dion

Chemical & Physical Properties

[ Density]:
1.271g/cm3

[ Boiling Point ]:
355.7ºC at 760 mmHg

[ Molecular Formula ]:
C10H9NO4

[ Molecular Weight ]:
207.18300

[ Flash Point ]:
173.9ºC

[ Exact Mass ]:
207.05300

[ PSA ]:
79.96000

[ LogP ]:
2.27980

[ Index of Refraction ]:
1.552

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK3500000
CHEMICAL NAME :
1,3-Butanedione, 1-(o-nitrophenyl)-
CAS REGISTRY NUMBER :
5463-78-5
BEILSTEIN REFERENCE NO. :
1877907
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H9-N-O4
MOLECULAR WEIGHT :
207.20
WISWESSER LINE NOTATION :
WNR B1VV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,54,1954

Safety Information

[ HS Code ]:
2914700090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2′-Nitroacetophenone
  • Ethanoic anhydride
  • Sulfuric acid
  • 2-(2-Nitrobenzoyl)acetessigsaeureethylester

DownStream

Customs

[ HS Code ]: 2914700090

[ Summary ]:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

Related Compounds

  • 1,3-Butanedione, 1- (p-nitrophenyl)-
  • 1,3-Butanedione,1-(3-nitrophenyl)-
  • 1,3-Butanedione,1-(2,5-dimethyl-3-furanyl)-4,4,4-trifluoro-2-methyl-
  • 1,3-Butanedione, 1-(2,4-dimethoxyphenyl)-4,4,4-trifluoro
  • 1-(2-Methylphenyl)-1,3-butanedione
  • 1-(2-Chlorophenyl)-1,3-butanedione