Cas no 1156508-87-0 (1,3-Bis(4-nitrophenyl)urea-d8)
1,3-Bis(4-nitrophenyl)urea-d8 Chemical and Physical Properties
Names and Identifiers
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- 1,3-Bis(4-nitrophenyl)urea-d8
- DNC-d8
- 1,3-bis(2,3,5,6-tetradeuterio-4-nitrophenyl)urea
- 4,4'-Dinitrocarbanilide-d8
- BNPH-d8
- 4,4'-Dinitrodiphenylurea-d8
- N,N'-Di(p-nitrophenyl)urea-d8
- N,N'-Bis(p-nitrophenyl)urea-d8
- N,N'-Bis-(4-nitrophenyl)urea D8
- N,N'-Bis[4-nitro(~2~H_4_)phenyl]urea
- DNC-d8, VETRANAL(TM), analytical standard
- 4,4 inverted exclamation marka-Dinitrocarbanilide-d8
- N,N inverted exclamation marka-Bis(4-nitrophenyl)urea-d8
- 1156508-87-0
- 1,3-BIS(4-NITROPHENYL)-UREA-D8
- 4,4?-Dinitrocarbanilide-d8
- 1ST7114D8
- J-003312
- 4,4'-Dinitrocarbanilide-d8 (rings-d8)
- HY-141744S
- DTXSID30746782
- 1,3-Bis(4-nitrophenyl)urea-d8; N,N'-Bis-(4-nitrophenyl)urea D8; Urea, N,N'-bis(4-nitrophenyl-2,3,5,6-d4)-; N,N'-Bis(4-nitrophenyl-2,3,5,6-d4)urea
- F90810
- CS-0202787
-
- MDL: MFCD06656252
- Inchi: 1S/C13H10N4O5/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22/h1-8H,(H2,14,15,18)/i1D,2D,3D,4D,5D,6D,7D,8D
- InChI Key: JEZZOKXIXNSKQD-PGRXLJNUSA-N
- SMILES: O=C(NC1C([2H])=C([2H])C(=C([2H])C=1[2H])[N+](=O)[O-])NC1C([2H])=C([2H])C(=C([2H])C=1[2H])[N+](=O)[O-]
Computed Properties
- Exact Mass: 310.11500
- Monoisotopic Mass: 310.11533340g/mol
- Isotope Atom Count: 8
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 379
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 133
- XLogP3: 2.1
Experimental Properties
- Melting Point: >300°C
- PSA: 132.77000
- LogP: 4.33940
1,3-Bis(4-nitrophenyl)urea-d8 Security Information
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Symbol:
- Signal Word:Danger
- Hazard Statement: H315-H318-H335
- Warning Statement: P261-P280-P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: 26
-
Hazardous Material Identification:
- Storage Condition:2-8°C
1,3-Bis(4-nitrophenyl)urea-d8 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B508502-2.5mg |
1,3-Bis(4-nitrophenyl)urea-d8 |
1156508-87-0 | 2.5mg |
$ 193.00 | 2023-09-08 | ||
| TRC | B508502-25mg |
1,3-Bis(4-nitrophenyl)urea-d8 |
1156508-87-0 | 25mg |
$ 1579.00 | 2023-09-08 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 34214-10MG |
DNC-d<SUB>8</SUB> |
1156508-87-0 | 10mg |
¥3768.35 | 2023-12-10 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B923042-10mg |
BNPH-D8(DNC-D8) |
1156508-87-0 | analytical standard | 10mg |
¥2,739.60 | 2022-09-28 | |
| MedChemExpress | HY-141744S-1mg |
4,4'-Dinitrocarbanilide-d |
1156508-87-0 | 98.36% | 1mg |
¥1250 | 2024-05-25 | |
| MedChemExpress | HY-141744S-5mg |
4,4'-Dinitrocarbanilide-d |
1156508-87-0 | 98.36% | 5mg |
¥3750 | 2024-05-25 | |
| MedChemExpress | HY-141744S-10mg |
4,4'-Dinitrocarbanilide-d |
1156508-87-0 | 98.36% | 10mg |
¥6000 | 2024-05-25 | |
| A2B Chem LLC | AE14119-1mg |
1,3-BIS(4-NITROPHENYL)-UREA-D8 |
1156508-87-0 | 1mg |
$160.00 | 2024-04-20 | ||
| A2B Chem LLC | AE14119-5mg |
1,3-BIS(4-NITROPHENYL)-UREA-D8 |
1156508-87-0 | 5mg |
$410.00 | 2024-04-20 | ||
| A2B Chem LLC | AE14119-10mg |
1,3-BIS(4-NITROPHENYL)-UREA-D8 |
1156508-87-0 | 10mg |
$635.00 | 2024-04-20 |
1,3-Bis(4-nitrophenyl)urea-d8 Suppliers
1,3-Bis(4-nitrophenyl)urea-d8 Related Literature
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Marta Piatkowska,Piotr Jedziniak,Jan Zmudzki Anal. Methods 2014 6 3034
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T. Goessens,S. D. Baere,N. D. Troyer,A. Deknock,P. Goethals,L. Lens,F. Pasmans,S. Croubels Environ. Sci.: Processes Impacts 2020 22 2117
Additional information on 1,3-Bis(4-nitrophenyl)urea-d8
1,3-Bis(4-Nitrophenyl)Urea-d8: A Comprehensive Overview
CAS No. 1156508-87-0, commonly referred to as 1,3-Bis(4-nitrophenyl)urea-d8, is a highly specialized compound that has garnered significant attention in the fields of organic chemistry and materials science. This compound is a derivative of urea, with two 4-nitrophenyl groups attached to the central urea moiety. The "d8" designation indicates the presence of eight deuterium atoms, which are isotopes of hydrogen with an additional neutron. This deuterium substitution is often utilized in nuclear magnetic resonance (NMR) spectroscopy to enhance the resolution and clarity of spectra by reducing scalar coupling between protons and deuterium.
The molecular formula of 1,3-Bis(4-nitrophenyl)urea-d8 is C12H8N2O2D8, and its molecular weight is approximately 296.3 g/mol. The compound exists as a crystalline solid under standard conditions and exhibits a melting point in the range of 220-225°C. Its structure consists of two nitrophenyl groups attached to a central urea core, which imparts unique electronic properties due to the electron-withdrawing nitro groups. These properties make it an attractive candidate for various applications in chemical research and industry.
Recent studies have highlighted the potential of 1,3-Bis(4-nitrophenyl)urea-d8 in the development of advanced materials, particularly in the field of optoelectronics. Researchers have explored its use as a building block for constructing two-dimensional covalent organic frameworks (COFs), which exhibit exceptional stability and tunable electronic properties. The incorporation of deuterium atoms has been shown to enhance the thermal stability of these materials, making them suitable for high-temperature applications.
In addition to its role in materials science, 1,3-Bis(4-nitrophenyl)urea-d8 has also found applications in medicinal chemistry. Its structure serves as a template for designing bioactive molecules with potential anticancer properties. Recent findings from pharmacological studies suggest that derivatives of this compound may inhibit specific enzymes involved in cancer cell proliferation, offering a promising avenue for drug discovery.
The synthesis of 1,3-Bis(4-nitrophenyl)urea-d8 typically involves a multi-step process that begins with the preparation of 4-nitrophenyl isocyanate derivatives. These intermediates are then subjected to nucleophilic substitution reactions with deuterated urea precursors to form the final product. The use of deuterated reagents ensures that the resulting compound retains its isotopic integrity, which is critical for its intended applications in spectroscopy and material science.
The physical and chemical properties of CAS No. 1156508-87-0 have been extensively characterized using modern analytical techniques such as high-resolution mass spectrometry (HRMS), X-ray crystallography, and NMR spectroscopy. These studies have provided valuable insights into its molecular geometry, electronic structure, and reactivity under various conditions.
In conclusion, 1,3-Bis(4-nitrophenyl)urea-d8 represents a versatile compound with diverse applications across multiple disciplines. Its unique combination of electronic properties and isotopic substitution makes it an invaluable tool for researchers in chemistry, materials science, and pharmacology. As ongoing research continues to uncover new potential uses for this compound, it is poised to play an increasingly important role in advancing scientific knowledge and technological innovation.
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