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

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Names

[ CAS No. ]:
4023-82-9

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

[Synonym ]:
4-nitrobenzoylacetone
Benzoylacetone,p-nitro
4-Nitro-benzoylaceton

Chemical & Physical Properties

[ Density]:
1.271g/cm3

[ Boiling Point ]:
345.8ºC at 760 mmHg

[ Molecular Formula ]:
C10H9NO4

[ Molecular Weight ]:
207.18300

[ Flash Point ]:
166.8ºC

[ Exact Mass ]:
207.05300

[ PSA ]:
79.96000

[ LogP ]:
2.27980

[ Vapour Pressure ]:
6.02E-05mmHg at 25°C

[ Index of Refraction ]:
1.552

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK3526800
CHEMICAL NAME :
1,3-Butanedione, 1-(4-nitrophenyl)-
CAS REGISTRY NUMBER :
4023-82-9
BEILSTEIN REFERENCE NO. :
2213658
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H9-N-O4
MOLECULAR WEIGHT :
207.20

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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

  • Ethanoic anhydride
  • 4-Nitroacetophenone
  • Acetone
  • 4-nitrobenzoyl nitrile
  • ethyl acetate
  • lithium enolate of acetone
  • 4-Nitrobenzoyl chloride

DownStream

  • 4-Nitroacetophenone
  • 4-Nitrobenzoic acid

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-(3-nitrophenyl)-
  • 1,3-Butanedione, 1-(o-nitrophenyl)-
  • 1,3-Butanedione, 4,4,4-trifluoro-1-p-tolyl-
  • 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
  • 4,4,4-Trifluoro-1-(4-nitrophenyl)-1,3-butanedione
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 1-(2-Nitrobenzenesulfonyl)-2-(propan-2-yl)piperazine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 2-{1-[2-(cyclopropylmethyl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoyl]azetidin-3-yl}propanoic acid
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine