(2E)-3-(4-Nitrophenyl)-1-phenyl-2-propen-1-one

Names

[ Name ]:
(2E)-3-(4-Nitrophenyl)-1-phenyl-2-propen-1-one

[Synonym ]:
4-Nitrochalcone 25GR
EINECS 214-949-5
4-nitrocalone
trans-4-Nitrochalcone
4-Nitrochalcone
p-nitrobenzylideneacetophenone
2-(4-Nitrobenzylidene)acetophenone
4-Nitrostyrylphenyl ketone
4-NITROBENZYLIDENEACETOPHENONE
2-Propen-1-one, 3-(4-nitrophenyl)-1-phenyl-, (2E)-
(2E)-3-(4-Nitrophenyl)-1-phenyl-2-propen-1-one
4'-nitrochalcone
MFCD00007382
4-nitro-chalcon
(2E)-3-(4-Nitrophenyl)-1-phenylprop-2-en-1-one

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
399.2±34.0 °C at 760 mmHg

[ Melting Point ]:
158-160 °C(lit.)

[ Molecular Formula ]:
C₁₅H₁₁NO₃

[ Molecular Weight ]:
253.253

[ Flash Point ]:
186.5±18.5 °C

[ Exact Mass ]:
253.073898

[ PSA ]:
62.89000

[ LogP ]:
3.79

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.651

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: FL7075500

CHEMICAL NAME :: Chalcone, 4-nitro-

CAS REGISTRY NUMBER :: 1222-98-6

BEILSTEIN REFERENCE NO. :: 0400543

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C15-H11-N-O3

MOLECULAR WEIGHT :: 253.27

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >3 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 10 ug/plate

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 188,267,1987

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
FL7075500

[ HS Code ]:
2914700090

Synthetic Route

Click to get detail synthetic route

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%

Articles

Structure-mutagenicity relationships of chalcones and their oxides in the Salmonella assay.

Mutat. Res. 169(3) , 71-9, (1986)

31 p-monosubstituted chalcones (E-1, 3-diphenylpropene-1-one) and the corresponding oxides (E-1-benzoyl-2-phenyloxirane) were tested for mutagenic activity on two strains of Salmonella typhimurium (TA...

Synthesis and Photochromic Properties of New Heterocyclic Derivatives of 1, 3-Diazabicyclo [3.1. 0] Hex-3-Ene. Mahmoodi NO, et al.

J. Chin. Chem. Soc. 54(3) , 635-41, (2007)