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-(1-(5-propylpyrimidin-2-yl)piperidin-4-yloxy)pyridin-2(1H)-one
  • 8-Ethyl-1,4-dioxa-spiro[4.5]decane-8-carbonitrile
  • 3-(Methoxycarbonyl)-5-(methylsulfonamidomethyl)benzoic acid
  • 7-Iodo-4,4-dimethyl-5,7-dihydro-1,2-benzoxazol-6-one
  • Ethyl 3-(isoquinolin-5-yl)propanoate
  • (2-(Benzyloxy)-5-fluorophenyl)methanol
  • N-[(3R,4R)-1-[(1-Acetyl-4-piperidinyl)carbonyl]-3-(3,4-dichlorophenyl)-4-piperidinyl]-N-methyl-4-(4-morpholinyl)benzamide
  • 2-(4-nitro-1H-indol-3-yl)ethanamine
  • 1-Cyclopropyl-N1-(1-phenyl-ethyl)ethane-1,2-diamine
  • N-ethoxyethyl-2-trifluoroacetylpyrrole
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