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

Modify Date: 2024-01-26 15:25:47

1,3-Butanedione, 1-(o-nitrophenyl)- Structure
1,3-Butanedione, 1-(o-nitrophenyl)- structure
 Common Name 1,3-Butanedione, 1-(o-nitrophenyl)-
CAS Number 5463-78-5 Molecular Weight 207.18300
Density 1.271g/cm3 Boiling Point 355.7ºC at 760 mmHg
Molecular Formula C10H9NO4 Melting Point N/A
MSDS N/A Flash Point 173.9ºC

 Names

Name 1-(2-nitrophenyl)butane-1,3-dione
Synonym More Synonyms

 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

2′-Nitroacetophenone structure

2′-Nitroacetophenone

CAS#:577-59-3
Ethanoic anhydride structure

Ethanoic anhydride

CAS#:108-24-7

~%

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

1,3-Butanedione...

CAS#:5463-78-5
Literature: Walker; Hauser Journal of the American Chemical Society, 1946 , vol. 68, p. 2742
Sulfuric acid structure

Sulfuric acid

CAS#:7664-93-9
2-(2-Nitrobenzoyl)acetessigsaeureethylester structure

2-(2-Nitrobenzo...

CAS#:57206-51-6

~%

2′-Nitroacetophenone structure

2′-Nitroacetophenone

CAS#:577-59-3
1,3-Butanedione, 1-(o-nitrophenyl)- Structure

1,3-Butanedione...

CAS#:5463-78-5
Literature: Gevekoht Justus Liebigs Annalen der Chemie, 1883 , vol. 221, p. 335

 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%

 Synonyms

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
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