3-Carboxydiphenyl ether - CAS 3739-38-6
Catalog: |
BB023268 |
Product Name: |
3-Carboxydiphenyl ether |
CAS: |
3739-38-6 |
Synonyms: |
3-PBA; m-(Phenyloxy)benzoic Acid; Permethrin Impurity 1; m-Phenoxy Benzoic Acid; Benzoic acid, m-phenoxy- |
Application: |
Metabolic Side Effects of Drugs and Substances |
IUPAC Name: | 3-phenoxybenzoic acid |
Description: | 3-Carboxydiphenyl ether is an impurity of Permethrin, which is a medication and an insecticide used to treat scabies and lice. |
Molecular Weight: | 214.22 |
Molecular Formula: | C13H10O3 |
Canonical SMILES: | C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O |
InChI: | InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15) |
InChI Key: | NXTDJHZGHOFSQG-UHFFFAOYSA-N |
Boiling Point: | 372.9±25.0°C at 760 mmHg |
Melting Point: | 146-149°C |
Purity: | ≥95% |
Density: | 1.196 g/cm3 (Predicted) |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly), Water |
Appearance: | White to off-white solid |
Storage: | Store at RT |
MDL: | MFCD00002498 |
LogP: | 3.17710 |
GHS Hazard Statement: | H315 (100%): 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 |
Publication Number | Title | Priority Date |
CN-113150161-A | Anti-idiotype monoclonal antibody of bacillus thuringiensis Cry2Aa toxin and application | 20210526 |
CN-112661621-A | Preparation method of m-phenoxy benzaldehyde | 20201230 |
CN-112661624-A | Preparation method of m-phenoxy benzaldehyde | 20201230 |
CN-112707801-A | Preparation method of m-phenoxy benzaldehyde | 20201230 |
CN-111973608-A | Application of sialic acid derivative | 20200917 |
PMID | Publication Date | Title | Journal |
32518293 | 20200609 | Long term transcriptional and behavioral effects in mice developmentally exposed to a mixture of endocrine disruptors associated with delayed human neurodevelopment | Scientific reports |
32278787 | 20200601 | Structure-based Identification of Endocrine Disrupting Pesticides Targeting Breast Cancer Proteins | Toxicology |
32040184 | 20200501 | An Evaluation of the Human Relevance of the Liver Tumors Observed in Female Mice Treated With Permethrin Based on Mode of Action | Toxicological sciences : an official journal of the Society of Toxicology |
31675560 | 20191201 | Association of prenatal pesticide exposures with adverse pregnancy outcomes and stunting in rural Bangladesh | Environment international |
31284115 | 20191001 | Sex and poverty modify associations between maternal peripartum concentrations of DDT/E and pyrethroid metabolites and thyroid hormone levels in neonates participating in the VHEMBE study, South Africa | Environment international |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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