2,4,6-Tribromophenol - CAS 118-79-6
Catalog: |
BB004290 |
Product Name: |
2,4,6-Tribromophenol |
CAS: |
118-79-6 |
Synonyms: |
Tribromophenol; Bromol; Xeroform; Phenol, 2,4,6-tribromo- |
IUPAC Name: | 2,4,6-tribromophenol |
Description: | 2,4,6-Tribromophenol is a natural product found in Grateloupia elliptica, Lanice conchilega, and other organisms. |
Molecular Weight: | 330.80 |
Molecular Formula: | C6H3Br3O |
Canonical SMILES: | C1=C(C=C(C(=C1Br)O)Br)Br |
InChI: | InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H |
InChI Key: | BSWWXRFVMJHFBN-UHFFFAOYSA-N |
Boiling Point: | 282-290 °C |
Melting Point: | 203 to 205 °F |
Purity: | 98 % |
Density: | 2.55 g/cm3 |
Solubility: | Slightly soluble (1-10 mg/ml) |
Appearance: | Soft, long, white crystals with a bromine odor. |
Decomposition: | Hazardous decomposition products: carbon monoxide, Carbon dioxide, Hydrogen bromide gas |
MDL: | MFCD00002150 |
LogP: | 3.67970 |
Vapor Pressure: | 0.000303 [mmHg] |
GHS Hazard Statement: | H317 (94.97%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113336523-A | Environment-friendly high-temperature binder and preparation method thereof | 20210705 |
CN-113372197-A | Method for recovering tribromophenol and tetrabromobisphenol A from tetrabromobisphenol A byproduct organic waste residue | 20210630 |
CN-113501533-A | Treatment method of sodium sulfate waste salt obtained in tetrabromobisphenol A production | 20210623 |
CN-113214623-A | Preparation method of phosphorus-halogen synergistic flame-retardant unsaturated polyester resin material | 20210604 |
CN-113267581-A | Method for detecting semi-volatile organic compounds in water | 20210519 |
PMID | Publication Date | Title | Journal |
31368499 | 20190731 | 2,4,6-Tribromophenol Exposure Decreases P-glycoprotein Transport at the Blood-Brain Barrier | Toxicological sciences : an official journal of the Society of Toxicology |
29427708 | 20180801 | Tribromophenol affects the metabolism, proliferation, migration and multidrug resistance transporters activity of murine melanoma cells B16F1 | Toxicology in vitro : an international journal published in association with BIBRA |
29409039 | 20180501 | The Affinity of Brominated Phenolic Compounds for Human and Zebrafish Thyroid Receptor β: Influence of Chemical Structure | Toxicological sciences : an official journal of the Society of Toxicology |
28230093 | 20170223 | Pentabromophenol suppresses TGF-β signaling by accelerating degradation of type II TGF-β receptors via caveolae-mediated endocytosis | Scientific reports |
27420076 | 20160712 | 2,4,6-Tribromophenol Interferes with the Thyroid Hormone System by Regulating Thyroid Hormones and the Responsible Genes in Mice | International journal of environmental research and public health |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 329.77135 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 327.77340 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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