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
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
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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