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Basic Description
| Synonyms | Phenol, 3,4,5-trichloro- | 3,4,5-trichlorphenol | 3,4,5-tris(chloranyl)phenol | HSDB 6292 | WLN: QR CG DG EG | BDBM91350 | AKOS006275453 | CCRIS 6110 | SMR001307309 | Tox21_200188 | TRICHLOROPHENOL, 3,4,5- | EINECS 210-183-0 | HMS3039M04 | A928575 | DTXSI |
|---|---|
| Specifications & Purity | ≥95% |
| Storage Temp | Room temperature,Argon charged |
| Shipped In | Normal |
| Product Description |
Product Describtion: 3,4,5-Trichlorophenol is an environmental pollutant belonging to the class of chlorophenols. Chlorophenols are formed as metabolites of chlorinated phenoxy acid herbicides and also exist as byproducts from the chlorination of drinking water.They find applications in the production of pharmaceuticals, dyes, polymers, etc. Product Application: 3,4,5-Trichlorophenol may be used as an analytical reference standard for the quantification of the analyte in landfill leachates and aqueous samples using gas chromatography technique. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Phenols
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Subclass
Halophenols
- Level5 Chlorophenols
- Level6 P-chlorophenols
- Level5 Chlorophenols
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Subclass
Halophenols
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Class
Phenols
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Halophenols |
| Intermediate Tree Nodes | Chlorophenols |
| Direct Parent | P-chlorophenols |
| Alternative Parents | M-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 4-chlorophenol - 3-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-chlorophenols. These are chlorophenols carrying a iodine at the C4 position of the benzene ring. |
| External Descriptors | Not available |
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Associated Targets(Human)
ESR1
Tclin
Estrogen receptor alpha (17718 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
NR3C1
Tclin
Glucocorticoid receptor (14987 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
AR
Tclin
Androgen Receptor (11781 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PTH1R
Tclin
Parathyroid hormone receptor (47172 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
RXRA
Tclin
Retinoid X receptor alpha (3637 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CXCL8
Tchem
Interleukin-8 (642 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
NR1H4
Tclin
Bile acid receptor FXR (6228 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GLP1R
Tclin
Glucagon-like peptide 1 receptor (111429 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP3A4
Tclin
Cytochrome P450 3A4 (53859 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TP53
Tchem
Cellular tumor antigen p53 (48468 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HepG2 (196354 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Lymphoblastoid cell (5959 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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HSD17B10
Tchem
Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SNCA
Tchem
Alpha-synuclein (10960 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TDP1
Tchem
Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HPGD
Tchem
15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GMNN
Tbio
Geminin (128009 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CBX1
Tbio
Chromobox protein homolog 1 (92434 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ATXN2
Tbio
Ataxin-2 (54410 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
IDH1
Tclin
Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TARDBP
Tchem
TAR DNA-binding protein 43 (40113 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Ppard
Peroxisome proliferator-activated receptor delta (358 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
lef
Anthrax lethal factor (7585 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Nfe2l2
Nuclear factor erythroid 2-related factor 2 (214 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Rorc
Nuclear receptor ROR-gamma (89407 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504752211 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752211 |
| IUPAC Name | 3,4,5-trichlorophenol |
| INCHI | InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H |
| InChIKey | GBNHEBQXJVDXSW-UHFFFAOYSA-N |
| Smiles | C1=C(C=C(C(=C1Cl)Cl)Cl)O |
| Isomeric SMILES | C1=C(C=C(C(=C1Cl)Cl)Cl)O |
| PubChem CID | 11859 |
| UN Number | 2020 |
| Packing Group | III |
| Molecular Weight | 197.45 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2311652 |
Certificate of Analysis | Sep 18, 2023 | T589641 |
| J2311646 |
Certificate of Analysis | Sep 18, 2023 | T589641 |
| J2311651 |
Certificate of Analysis | Sep 18, 2023 | T589641 |
| J2311650 |
Certificate of Analysis | Sep 18, 2023 | T589641 |
| J2311657 |
Certificate of Analysis | Sep 18, 2023 | T589641 |
| J2311645 |
Certificate of Analysis | Sep 18, 2023 | T589641 |
| J2311644 |
Certificate of Analysis | Sep 18, 2023 | T589641 |
Chemical and Physical Properties
| Solubility | Soluble in ether, slightly soluble in water |
|---|---|
| Melt Point(°C) | 99 °C |
| Molecular Weight | 197.400 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 195.925 Da |
| Monoisotopic Mass | 195.925 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 108.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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