3-Phenoxyphenol - CAS 713-68-8
Catalog: |
BB034366 |
Product Name: |
3-Phenoxyphenol |
CAS: |
713-68-8 |
Synonyms: |
3-phenoxyphenol |
IUPAC Name: | 3-phenoxyphenol |
Description: | 3-Phenoxyphenol (CAS# 713-68-8) is a useful research chemical compound. |
Molecular Weight: | 186.21 |
Molecular Formula: | C12H10O2 |
Canonical SMILES: | C1=CC=C(C=C1)OC2=CC=CC(=C2)O |
InChI: | InChI=1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H |
InChI Key: | HBUCPZGYBSEEHF-UHFFFAOYSA-N |
Boiling Point: | 185 °C12 mmHg (lit.) |
Melting Point: | 41-42 °C (lit.) |
Purity: | 98 % |
Density: | 1.159 g/mL at 25 °C (lit.) |
Appearance: | Brown iiquid |
MDL: | MFCD00003543 |
LogP: | 3.18450 |
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-111333639-A | Carboline derivative/analogue, preparation method and application thereof | 20200420 |
CN-113471371-A | Organic electroluminescent device and condensed polycyclic compound used therefor | 20200331 |
KR-20210122407-A | Organic electroluminescence device and fused polycyclic compound for organic electroluminescence device | 20200331 |
US-2021320257-A1 | Organic electroluminescence device and fused polycyclic compound for organic electroluminescence device | 20200331 |
KR-20210109111-A | Compound and light emitting device comprising the same | 20200226 |
PMID | Publication Date | Title | Journal |
22738293 | 20120726 | Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis | Journal of medicinal chemistry |
21486007 | 20110520 | Calorimetric and computational study of the thermochemistry of phenoxyphenols | The Journal of organic chemistry |
21655147 | 20110501 | Review of pesticide urinary biomarker measurements from selected US EPA children's observational exposure studies | International journal of environmental research and public health |
20397420 | 20100101 | Estrogenic activities of two synthetic pyrethroids and their metabolites | Journal of environmental sciences (China) |
Complexity: | 164 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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