| Identification | More | [Name]
TRANS-1,2-DIBENZOYLETHYLENE | [CAS]
959-28-4 | [Synonyms]
1,2-DIBENZOYLETHYLENE
(E)-1,2-DIBENZOYLETHYLENE
(E)-1,4-DIPHENYL-2-BUTENE-1,4-DIONE
LABOTEST-BB LT00068044
TIMTEC-BB SBB007664
TRANS-1,2-DIBENZOYLETHYLENE
TRANS-1,4-DIPHENYL-2-BUTENE-1,4-DIONE
TRANS-DIPHENACYLIDENE
(2E)-1,4-Diphenyl-2-butene-1,4-dione
2-Butene-1,4-dione, 1,4-diphenyl-, (E)-
4-diphenyl-4-dion(e)-2-butene-1
perdominantlytrans
1,2-Dibenzoylethylene,predominantlytrans,96%
1,2-dibenzoylethylene, predominantly trans
(E)-1,2-Dibenzoylethene
(E)-1,4-Diphenyl-1,4-dioxo-2-butene | [EINECS(EC#)]
213-498-1 | [Molecular Formula]
C16H12O2 | [MDL Number]
MFCD00003083 | [Molecular Weight]
236.27 | [MOL File]
959-28-4.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow crystalline powder | [Melting point ]
109-112 °C(lit.) | [Boiling point ]
338.73°C (rough estimate) | [density ]
1.1223 (rough estimate) | [refractive index ]
1.6000 (estimate) | [form ]
Powder, Crystals or Flakes | [color ]
White to yellow to beige-brown | [BRN ]
743958 | [InChI]
1S/C16H12O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H/b12-11+ | [InChIKey]
WYCXGQSQHAXLPK-VAWYXSNFSA-N | [SMILES]
[H]\C(=C(\[H])C(=O)c1ccccc1)C(=O)c2ccccc2 | [CAS DataBase Reference]
959-28-4(CAS DataBase Reference) | [EPA Substance Registry System]
trans-1,2-Dibenzoylethylene (959-28-4) |
| Safety Data | Back Directory | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [RTECS ]
EM7000000 | [TSCA ]
Yes | [HS Code ]
29143900 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
yellow crystalline powder | [Uses]
(E)-1,4-Diphenylbut-2-ene-1,4-dione is a key intermediate for the Michael adducts-source for biologically potent heterocycles with antimicrobial properties. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 55, p. 360, 1990 DOI: 10.1021/jo00288a066
Journal of the American Chemical Society, 45, p. 1303, 1923 DOI: 10.1021/ja01658a026 | [Purification Methods]
It crystallises from MeOH or EtOH as yellow needles [Koller et al. Helv Chim Acta 29 512 1946]. The dioxime has m 210-211o(dec) from AcOH. [IR: Kuhn et al. J Am Chem Soc 72 5058 1950, Yates J Am Chem Soc 74 5375 1952, Erickson et al. J Am Chem Soc 73 5301 1951, Beilstein 7 IV 2578.] |
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