3-Nitrophthalonitrile - CAS 51762-67-5
Catalog: |
BB027577 |
Product Name: |
3-Nitrophthalonitrile |
CAS: |
51762-67-5 |
Synonyms: |
3-nitrobenzene-1,2-dicarbonitrile; 3-nitrobenzene-1,2-dicarbonitrile |
IUPAC Name: | 3-nitrobenzene-1,2-dicarbonitrile |
Description: | 3-Nitrophthalonitrile can be used in solar cells. Dyes and metabolites. |
Molecular Weight: | 173.13 |
Molecular Formula: | C8H3N3O2 |
Canonical SMILES: | C1=CC(=C(C(=C1)[N+](=O)[O-])C#N)C#N |
InChI: | InChI=1S/C8H3N3O2/c9-4-6-2-1-3-8(11(12)13)7(6)5-10/h1-3H |
InChI Key: | UZJZIZFCQFZDHP-UHFFFAOYSA-N |
Boiling Point: | 386.1 °C at 760 mmHg |
Density: | 1.41 g/cm3 |
MDL: | MFCD00191558 |
LogP: | 1.86136 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113201302-A | Diamino bisphthalonitrile modified epoxy resin adhesive and preparation method thereof | 20210506 |
CN-113461696-A | Porphyrin phthalocyanine covalent dual-functionalized graphene nonlinear nano hybrid material and preparation method thereof | 20210416 |
CN-113072525-A | Preparation method of 3,4 '- (4, 4' -isopropyldiphenoxy) bis (phthalic anhydride) | 20210330 |
CN-112409365-A | 3-sulfopropane sulfydryl modified phthalocyanine, preparation method thereof and application thereof in pharmaceutical field | 20201209 |
CN-112209940-A | COX-2 enzyme-targeted phthalocyanine-indometacin complex and preparation method and application thereof | 20201026 |
PMID | Publication Date | Title | Journal |
21581312 | 20081113 | 4-(2-Chloro-ethoxy)phthalonitrile | Acta crystallographica. Section E, Structure reports online |
21201388 | 20080104 | 3-(2-Nitro-phen-oxy)phthalonitrile | Acta crystallographica. Section E, Structure reports online |
18288246 | 20080101 | Synthesis, Characterization, and In Vitro Photodynamic Activity of Novel Amphiphilic Zinc(II) Phthalocyanines Bearing Oxyethylene-Rich Substituents | Metal-based drugs |
21200940 | 20071206 | 3,4-Dicyano-phenyl 2,3,4,6-tetra-O-acetyl-α-d-glucopyran-oside | Acta crystallographica. Section E, Structure reports online |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.022526347 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.022526347 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 93.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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