4,5-Difluoro-2-nitroaniline - CAS 78056-39-0
Catalog: |
BB036105 |
Product Name: |
4,5-Difluoro-2-nitroaniline |
CAS: |
78056-39-0 |
Synonyms: |
4,5-difluoro-2-nitroaniline |
IUPAC Name: | 4,5-difluoro-2-nitroaniline |
Description: | 4,5-Difluoro-2-nitroaniline (CAS# 78056-39-0) is a useful research chemical. |
Molecular Weight: | 174.10 |
Molecular Formula: | C6H4F2N2O2 |
Canonical SMILES: | C1=C(C(=CC(=C1F)F)[N+](=O)[O-])N |
InChI: | InChI=1S/C6H4F2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2 |
InChI Key: | WDMCABATCGQAKK-UHFFFAOYSA-N |
Boiling Point: | 308.1 °C at 760 mmHg |
Melting Point: | 107-108 °C (lit.) |
Purity: | 98 % |
Density: | 1.554 g/cm3 |
Appearance: | Golden to orange crystalline powder |
Storage: | Room temperature. |
MDL: | MFCD00010876 |
LogP: | 2.55960 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111362867-A | Mobile terminal, shell assembly, electrochromic material and preparation method thereof | 20200420 |
CN-110551072-A | quinoxaline-N 1, N 4 -dioxide derivative with DNA topoisomerase activity inhibition function, preparation method and application | 20191018 |
WO-2021055591-A1 | Substituted benzimidazole carboxamides and their use in the treatment of medical disorders | 20190917 |
WO-2020033784-A1 | Transglutaminase 2 (tg2) inhibitors | 20180810 |
TW-202023553-A | Transglutaminase 2 (tg2) inhibitors | 20180810 |
PMID | Publication Date | Title | Journal |
9057868 | 19970227 | Design, synthesis, and antiviral evaluation of 2-chloro-5,6-dihalo-1-beta-D-ribofuranosylbenzimidazoles as potential agents for human cytomegalovirus infections | Journal of medicinal chemistry |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.02408370 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.02408370 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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