4-Nitrophthalic Anhydride
Product Information
Molecular Formula
C8H3NO5
Molecular Weight
193.11
Description
Applications: 5-Nitrophthalic Anhydride is used in the preparation of phthalic acids as well as compounds with anticonvulsant activities.
Synonyms
5-nitroisobenzofuran-1,3-dione; 5-nitro-2-benzofuran-1,3-dione
IUPAC Name
5-nitro-2-benzofuran-1,3-dione
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
Refractive Index
1.4700 (estimate)
LogP
1.42860
Safety Information
Hazards
H315 - H319 - H335
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
Computed Properties
XLogP3
1.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
193.00112220 g/mol
Monoisotopic Mass
193.00112220 g/mol
Topological Polar Surface Area
89.2Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
307
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113355129-A | Super heavy oil demulsifier and preparation method thereof | 2021-07-05 |
| CN-112851689-A | Preparation method of fluorescein probe with specific selectivity | 2021-01-28 |
| JP-2021047461-A | Photoreceptor for electrophotographic, its manufacturing method and electrophotographic equipment | 2020-12-23 |
| RU-2747025-C1 | Method for producing 4-(or 5)-aminotetra-c1-c2-alkylrodamines | 2020-10-23 |
| RU-2747027-C1 | Method for producing mixture of 4(or 5)-nitrotetraethylrodamines | 2020-10-23 |
| WO-2021231998-A1 | High-temperature, thermally-insulative laminates including aerogel layers | 2020-05-15 |
| WO-2021232001-A1 | Low-dielectric constant, low-dissipation factor laminates including aerogel layers | 2020-05-15 |
| WO-2021217073-A2 | Air permeable filter material comprising a polymer aerogel | 2020-04-24 |
| WO-2021191069-A1 | Method for producing an ether esterol | 2020-03-25 |
| WO-2021194908-A1 | Modified dipeptide cleavases, uses thereof and related kits | 2020-03-24 |
