2,4-Pentanedione,3-[(3-nitrophenyl)methylene]-

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Names

[ CAS No. ]:
29197-19-1

[ Name ]:
2,4-Pentanedione,3-[(3-nitrophenyl)methylene]-

[Synonym ]:
3-(m-Nitrobenzylidene)acetylacetone
3-(3-Nitrobenzylidene)acetylacetone
3-Nitro-13.12-dioxo-1-(12-aetho-buten-(11)-yl)-benzol
2,4-Pentanedione,3-(m-nitrobenzylidene)
3-(m-Nitrobenzal) 2,4-pentanedione
3-(3-Nitro-benzyliden)-pentan-2,4-dion
m-nitrobenzylidene-acetylacetone
3-(3-nitrobenzylidene)pentane-2,4-dione

Chemical & Physical Properties

[ Density]:
1.255g/cm3

[ Boiling Point ]:
442.6ºC at 760mmHg

[ Molecular Formula ]:
C12H11NO4

[ Molecular Weight ]:
233.22000

[ Flash Point ]:
223.1ºC

[ Exact Mass ]:
233.06900

[ PSA ]:
79.96000

[ LogP ]:
2.67940

[ Vapour Pressure ]:
4.94E-08mmHg at 25°C

[ Index of Refraction ]:
1.587

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA2275000
CHEMICAL NAME :
2,4-Pentanedione, 3-(m-nitrobenzylidene)-
CAS REGISTRY NUMBER :
29197-19-1
BEILSTEIN REFERENCE NO. :
2054358
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H11-N-O4
MOLECULAR WEIGHT :
233.24
WISWESSER LINE NOTATION :
WNR C1UYV1&V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,8,1961

Safety Information

[ HS Code ]:
2914700090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-Nitrobenzaldehyde
  • 2,4-Pentandione
  • Benzenesulfonic acid,4-methyl-, 2-[(3-nitrophenyl)methylene]hydrazide

DownStream

  • 2-[[3-acetyl-5-cyano-2-hydroxy-2-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide

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

  • 2,4-Pentanedione, 3-[[5-(3-nitrophenyl)-2-furanyl]methylene]- (en)
  • 2,4-Pentanedione, 3-methylene- (7CI,8CI,9CI)
  • 2,4-Pentanedione,3,3-dimethyl-
  • 3-[(4-NITROPHENYL)METHYLENE]-2,4-PENTANEDIONE
  • 3-[(4-chloro-3-nitrophenyl)methylidene]pentane-2,4-dione
  • 1-methoxy-3-[(3-nitrophenyl)methylidene]pentane-2,4-dione
  • 4-butoxy-N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-N-(p-tolyl)benzamide
  • 2-chloro-N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(p-tolyl)benzamide
  • N-(1,1-dioxido-2,3-dihydrothien-3-yl)-3,4-dimethyl-N-(4-methylphenyl)benzamide
  • N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-3,5-dimethoxy-N-(p-tolyl)benzamide
  • N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-(piperidin-1-ylsulfonyl)-N-(p-tolyl)benzamide
  • N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-4-isopropoxy-N-(p-tolyl)benzamide
  • N-(1,1-dioxido-2,3-dihydrothien-3-yl)-N-(4-ethoxyphenyl)-3,5-dimethylbenzamide
  • N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)-2-methylbenzamide
  • N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)-3-methylbenzamide
  • 2-chloro-N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)benzamide
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