4-Nitrophthalic Anhydride - CAS 5466-84-2
Catalog: |
BB028760 |
Product Name: |
4-Nitrophthalic Anhydride |
CAS: |
5466-84-2 |
Synonyms: |
5-nitroisobenzofuran-1,3-dione; 5-nitro-2-benzofuran-1,3-dione |
IUPAC Name: | 5-nitro-2-benzofuran-1,3-dione |
Description: | Applications: 5-Nitrophthalic Anhydride is used in the preparation of phthalic acids as well as compounds with anticonvulsant activities. |
Molecular Weight: | 193.11 |
Molecular Formula: | C8H3NO5 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC2=O |
InChI: | InChI=1S/C8H3NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3H |
InChI Key: | MMVIDXVHQANYAE-UHFFFAOYSA-N |
Boiling Point: | 197 °C / 8 mmHg |
Melting Point: | 116-120 °C (lit.) |
Purity: | 92 % |
Density: | 1.6392 (rou gh estimate) |
Solubility: | 10 to 50 mg/mL at 70 °F |
Appearance: | Pale beige solid |
Storage: | -20 °C Freezer, Under inert atmosphere |
MDL: | MFCD00005922 |
LogP: | 1.42860 |
Refractive Index: | 1.4700 (estimate) |
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-113355129-A | Super heavy oil demulsifier and preparation method thereof | 20210705 |
CN-112851689-A | Preparation method of fluorescein probe with specific selectivity | 20210128 |
JP-2021047461-A | Photoreceptor for electrophotographic, its manufacturing method and electrophotographic equipment | 20201223 |
RU-2747025-C1 | Method for producing 4-(or 5)-aminotetra-c1-c2-alkylrodamines | 20201023 |
RU-2747027-C1 | Method for producing mixture of 4(or 5)-nitrotetraethylrodamines | 20201023 |
PMID | Publication Date | Title | Journal |
19049076 | 20080901 | Application of phthalocyanine derivatives as hole transporting layer to organic light emitting devices | Journal of nanoscience and nanotechnology |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.00112220 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.00112220 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 89.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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