4-Nitrobenzophenone - CAS 1144-74-7
Catalog: |
BB003400 |
Product Name: |
4-Nitrobenzophenone |
CAS: |
1144-74-7 |
Synonyms: |
(4-nitrophenyl)-phenylmethanone |
IUPAC Name: | (4-nitrophenyl)-phenylmethanone |
Description: | 4-Nitrobenzophenone (CAS# 1144-74-7) is used in the quantitative structural activity relationship analysis of benzophenone derivatives as antimalarial agents. |
Molecular Weight: | 227.22 |
Molecular Formula: | C13H9NO3 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C13H9NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H |
InChI Key: | ZYMCBJWUWHHVRX-UHFFFAOYSA-N |
Boiling Point: | 390.5 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.266 g/cm3 |
Appearance: | Yellow to light brown fine crystalline powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00007354 |
LogP: | 3.34900 |
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 |
WO-2021106858-A1 | Cured film-forming composition, alignment material, and phase difference material | 20191125 |
WO-2020241642-A1 | Cured film formation composition, alignment member, and retardation member | 20190527 |
WO-2020218060-A1 | Curable composition, cured-composition layer, optical laminate, and image display device | 20190426 |
EP-3650438-A1 | Di-, tri- and tetraphenylindane derivatives and their use in organic electronics | 20181109 |
EP-3717464-A1 | Nitration | 20181026 |
PMID | Publication Date | Title | Journal |
12641428 | 20030301 | Synthesis and characterization of N-demethylated metabolites of malachite green and leucomalachite green | Chemical research in toxicology |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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