5-Phenylbenzene-1,3-diol - CAS 7028-41-3
Catalog: |
BB058223 |
Product Name: |
5-Phenylbenzene-1,3-diol |
CAS: |
7028-41-3 |
Synonyms: |
3,5-Dihydroxybiphenyl; [1,1'-Biphenyl]-3,5-diol; 5-phenylbenzene-1,3-diol; biphenyl-3,5-diol; 5-Phenylresorcinol; 1,1'-biphenyl-3,5-diol; 3,5-Biphenyldiol; 5-phenyl-resorcinol |
IUPAC Name: | 5-phenylbenzene-1,3-diol |
Description: | 5-phenylbenzene-1,3-diol (cas# 7028-41-3) is a useful research chemical. |
Molecular Weight: | 186.21 |
Molecular Formula: | C12H10O2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=CC(=C2)O)O |
InChI: | InChI=1S/C12H10O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8,13-14H |
InChI Key: | UAVUNEWOYVVSEF-UHFFFAOYSA-N |
Melting Point: | 157 - 159°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | 4°C, Inert atmosphere |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113372201-A | Preparation method of biphenol compound and derivatives thereof | 20210610 |
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PMID | Publication Date | Title | Journal |
22377689 | 20120501 | Formation of biphenyl and dibenzofuran phytoalexins in the transition zones of fire blight-infected stems of Malus domestica cv. 'Holsteiner Cox' and Pyrus communis cv. 'Conference' | Phytochemistry |
19757094 | 20100101 | A novel 4-hydroxycoumarin biosynthetic pathway | Plant molecular biology |
19699497 | 20091001 | Biosynthesis of biphenyls and benzophenones--evolution of benzoic acid-specific type III polyketide synthases in plants | Phytochemistry |
17109150 | 20070501 | Biphenyl synthase, a novel type III polyketide synthase | Planta |
14595561 | 20040101 | Biphenyl synthase from yeast-extract-treated cell cultures of Sorbus aucuparia | Planta |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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