4-Hydroxyphthalonitrile - CAS 30757-50-7
Catalog: |
BB020715 |
Product Name: |
4-Hydroxyphthalonitrile |
CAS: |
30757-50-7 |
Synonyms: |
4-hydroxybenzene-1,2-dicarbonitrile |
IUPAC Name: | 4-hydroxybenzene-1,2-dicarbonitrile |
Description: | 4-Hydroxyphthalonitrile (CAS# 30757-50-7) is a useful research chemical. |
Molecular Weight: | 144.13 |
Molecular Formula: | C8H4N2O |
Canonical SMILES: | C1=CC(=C(C=C1O)C#N)C#N |
InChI: | InChI=1S/C8H4N2O/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3,11H |
InChI Key: | FTVOPKROFUTOKY-UHFFFAOYSA-N |
Boiling Point: | 394.6 °C at 760 mmHg |
Melting Point: | 218 °C |
Purity: | > 97.0 % (GC) |
Density: | 1.34 g/cm3 |
MDL: | MFCD00191653 |
LogP: | 1.13556 |
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 |
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PMID | Publication Date | Title | Journal |
21511519 | 20110801 | Protolytic dissociation of cyanophenols in ground and excited states in alcohol and water solutions | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
19330101 | 20081201 | Synthesis, characterization, and photovoltaic properties of soluble TiOPc derivatives | International journal of molecular sciences |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.032362755 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.032362755 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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