4-Cyanophenol - CAS 767-00-0
Catalog: |
BB035680 |
Product Name: |
4-Cyanophenol |
CAS: |
767-00-0 |
Synonyms: |
4-hydroxybenzonitrile |
IUPAC Name: | 4-hydroxybenzonitrile |
Description: | 4-Cyanophenol (CAS# 767-00-0) is used in a study to assess chemical uptake into human stratum corneum. |
Molecular Weight: | 119.12 |
Molecular Formula: | C7H5NO |
Canonical SMILES: | C1=CC(=CC=C1C#N)O |
InChI: | InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H |
InChI Key: | CVNOWLNNPYYEOH-UHFFFAOYSA-N |
Boiling Point: | 281.2 °C at 760 mmHg |
Melting Point: | 110-113 °C |
Purity: | > 98.0 % (GC) (T) |
Density: | 1.22 g/cm3 |
Appearance: | White crystalline powder or chips |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002312 |
LogP: | 1.26388 |
Vapor Pressure: | 0.00665 [mmHg] |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113321575-A | Preparation method of benzyl aryl ether and application of benzyl aryl ether in synthesis | 20210615 |
CN-113248897-A | Anti-aging socket and preparation method thereof | 20210605 |
CN-113336780-A | Preparation method of 2-formyl-4- (4-cyanophenoxy) phenylboronic acid pinacol ester | 20210525 |
CN-113072572-A | Boron-containing spiro compound and organic electroluminescent device | 20210323 |
CN-113024530-A | Isatin-1, 2, 4-oxadiazole compound and preparation method and application thereof | 20210315 |
PMID | Publication Date | Title | Journal |
23000928 | 20121201 | Quantum chemical studies and vibrational analysis of 4-acetyl benzonitrile, 4-formyl benzonitrile and 4-hydroxy benzonitrile--a comparative study | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22804105 | 20120806 | Proton-coupled electron transfer between 4-cyanophenol and photoexcited rhenium(I) complexes with different protonatable sites | Inorganic chemistry |
22257859 | 20120601 | The implication of mediators for enhancement of laccase oxidation of sulfonamide antibiotics | Bioresource technology |
22451192 | 20120502 | Organic semiconducting single crystals as next generation of low-cost, room-temperature electrical X-ray detectors | Advanced materials (Deerfield Beach, Fla.) |
22180860 | 20120221 | Substituent exchange reactions of trimeric and tetrameric aryloxycyclophosphazenes with sodium 2,2,2-trifluoroethoxide | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 119.037113783 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 119.037113783 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 44 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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