4-Phenylphenol - CAS 92-69-3
Catalog: |
BB040599 |
Product Name: |
4-Phenylphenol |
CAS: |
92-69-3 |
Synonyms: |
[1,1'-Biphenyl]-4-ol; 4-Biphenylol; 4-Diphenylol; 4-Hydroxy-1,1'-biphenyl; 4-Hydroxybiphenyl; 4-Hydroxydiphenyl; Daicarrier DK-CN; DK-CN; MK 1100; NSC 1858; p-Biphenylol; p-Hydroxybiphenyl; p-Hydroxydiphenyl; p-Phenylphenol; P-PP; p-Xenol; Paraxenol; Tetrosin P 300 |
Related CAS: | 61840-56-0 (Deleted CAS) 110617-59-9 (Deleted CAS) 215723-23-2 (Deleted CAS)
|
IUPAC Name: | 4-phenylphenol |
Molecular Weight: | 170.21 |
Molecular Formula: | C12H10O |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC=C(C=C2)O |
InChI: | InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H |
InChI Key: | YXVFYQXJAXKLAK-UHFFFAOYSA-N |
Boiling Point: | 305-308°C |
Melting Point: | 164-165°C |
Flash Point: | 165.5 °C |
Purity: | 95% |
Density: | 1.27 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | Off-white Solid |
Storage: | Store at -20°C |
MDL: | MFCD00002347 |
LogP: | 3.05920 |
Vapor Pressure: | 0.0000188 [mmHg] |
GHS Hazard Statement: | H315 (98.31%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
33049310 | 20210401 | Evaluation of a multiplexed, multispecies nuclear receptor assay for chemical hazard assessment | Toxicology in vitro : an international journal published in association with BIBRA |
30817981 | 20190415 | Low-dose environmental endocrine disruptors, increase aromatase activity, estradiol biosynthesis and cell proliferation in human breast cells | Molecular and cellular endocrinology |
28927721 | 20180201 | Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay | Toxicology in vitro : an international journal published in association with BIBRA |
28500425 | 20171101 | Hepatic glucuronidation of 4-tert-octylphenol in humans: inter-individual variability and responsible UDP-glucuronosyltransferase isoforms | Archives of toxicology |
27259399 | 20160715 | Synthesis and evaluation of biphenyl derivatives as potential downregulators of VEGF protein secretion and telomerase-related gene expressions | Bioorganic & medicinal chemistry |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.073164938 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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