2,4,5-Trichlorophenol - purum, ≥95%(GC) , CAS No.95-95-4

CAS: 95-95-4 Cat. No.: T434610 Molecular Weight: 197.45 Beilstein Registry Number: 607569 EC Number: 202-467-8
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GRADE & PURITY purum ? Purum — pure grade, typically ≥97%, above technical but below puriss. Use for synthesis and prep where moderate-high purity suffices. ≥95%(GC)
Synonyms
2,4,5-TRICHLOROPHENOL [MI] | Q209173 | 2,4,5-trichlorphenol | NCGC00091196-03 | 2,4,5-Trichlorophenol 100 microg/mL in Methanol | UNII-32526637PN | 2,4,5-Trichlorophenol, PESTANAL(R), analytical standard | DTXSID4024359 | NCGC00091196-04 | Tox21_300186 |
Storage
Room temperature
Shipped In
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Size
Status
Price
Qty
50g
T434610-50g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$201.90

$235.90
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250g
T434610-250g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$702.90

$820.90
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Why this grade

purum, ≥95%(GC) purum for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 10 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2, 4, 5-TRICHLOROPHENOL [MI] | Q209173 | 2, 4, 5-trichlorphenol | NCGC00091196-03 | 2, 4, 5-Trichlorophenol 100 microg/mL in Methanol | UNII-32526637PN | 2, 4, 5-Trichlorophenol, PESTANAL(R), analytical standard | DTXSID4024359 | NCGC00091196-04 | Tox21_300186 |
Specifications & Purity
purum, ≥95%(GC)
Storage
Room temperature
Shipped In
FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
purum
Purity
≥95%(GC)
Names and Identifiers
Canonical SmilesC1=C(C(=CC(=C1Cl)Cl)Cl)O
IUPAC Name2,4,5-trichlorophenol
InChIKeyLHJGJYXLEPZJPM-UHFFFAOYSA-N
INCHI1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
Isomeric SMILES C1=C(C(=CC(=C1Cl)Cl)Cl)O
WGK Germany 3
RTECS SN1400000
UN Number 2020
Packing Group III
Molecular Weight 197.45
Beilstein 607569
Reaxy-Rn 607569

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenols
SubclassHalophenols
Intermediate Tree Nodes Chlorophenols
Direct ParentP-chlorophenols
Alternative Parents O-chlorophenols  M-chlorophenols  Chlorobenzenes  1-hydroxy-2-unsubstituted benzenoids  Aryl chlorides  Organooxygen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 4-chlorophenol - 2-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
DescriptionThis 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 trichlorophenol
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TNF Tclin TNF-alpha (1897 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PMP22 Tbio Peripheral myelin protein 22 (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Bacillus subtilis (32866 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Flash Point(°F)186.8 °F
Flash Point(°C)133 °C
Boil Point(°C)248°C
Melt Point(°C)67-69°C
Molecular Weight197.400 g/mol
XLogP33.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass195.925 Da
Monoisotopic Mass195.925 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count10
Formal Charge0
Complexity120.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Xiaowan Zhang, Dan Li, Mengyuan Li, Peige Qin, Shiping Zhu, Yanmei Gao, Mengyao Mu, Ning Zhang, Youmei Wang, Minghua Lu.  (2022)  Flower-like Co3O4/C3N5 composite as solid-phase microextraction coating for high-efficiency adsorption and preconcentration of polycyclic aromatic hydrocarbons and polychlorinated biphenyls in water.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.136293]
2. Ge Kun, Li Yonghui, Wu Qiyue, Gu Ying.  (2022)  Simultaneous and rapid detection of polychlorinated phenols in water samples by surface-enhanced Raman spectroscopy combined with principal component analysis.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  414  (7): (2385-2395).  [PMID:35006306] [10.1007/s00216-022-03876-0]
3. Hongji Li, Yan Wang, Yue Li, Yu Qiao, Lihui Liu, Qingwei Wang, Guangbo Che.  (2019)  High-sensitive molecularly imprinted sensor with multilayer nanocomposite for 2,6-dichlorophenol detection based on surface-enhanced Raman scattering.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:31740121] [10.1016/j.saa.2019.117784]
4. Wei Xiao, Yu Miaomiao, Li Chen, Gong Xinghui, Qin Fang, Wang Zhenhong.  (2018)  Magnetic nanoparticles coated with a molecularly imprinted polymer doped with manganese-doped ZnS quantum dots for the determination of 2,4,6-trichlorophenol.  MICROCHIMICA ACTA,  185  (4): (1-6).  [PMID:29594667] [10.1007/s00604-018-2742-5]
5. Jianming Pan, Jialu Luo, Jun Cao, Jinxing Liu, Wei Huang, Wenli Zhang, Lili Yang.  (2016)  Competitive adsorption of three phenolic compounds to hydrophilic urea-formaldehyde macroporous foams derived from lignin-based Pickering HIPEs template.  RSC Advances,  (96): (93894-93904).  [PMID:] [10.1039/C6RA20919J]
6. Mei-Lan Chen, Jian-Qing Min, Mei-Qiang Cai, Sheng-Dong Pan, Mi-Cong Jin.  (2016)  Rapid analysis of six trace trichlorophenols in seawater by magnetic micro-solid-phase extraction and liquid chromatography with tandem mass spectrometry.  JOURNAL OF SEPARATION SCIENCE,  39  (12): (2396-2405).  [PMID:27121535] [10.1002/jssc.201600204]
7. Xiao Wei, Zhiping Zhou, Tongfan Hao, Hongji Li, Yanzhuo Zhu, Lin Gao, Yongsheng Yan.  (2015)  A novel molecularly imprinted polymer thin film at surface of ZnO nanorods for selective fluorescence detection of para-nitrophenol.  RSC Advances,  (55): (44088-44095).  [PMID:] [10.1039/C5RA05093F]
8. Xiao Wei, Zhiping Zhou, Jiangdong Dai, Tongfan Hao, Hongji Li, Yeqing Xu, Lin Gao, Jianming Pan, Chunxiang Li, Yongsheng Yan.  (2014)  Composites of surface imprinting polymer capped Mn-doped ZnS quantum dots for room-temperature phosphorescence probing of 2,4,5-trichlorophenol.  JOURNAL OF LUMINESCENCE,      [PMID:] [10.1016/j.jlumin.2014.07.001]
9. Yuhang Xing, Ruyi Li, Lu Xue, Mianhong Chen, Xuli Lu, Zhihao Duan, Wei Zhou, Jihua Li.  (2022)  Double emulsion (W/O/W) gel stabilised by polyglycerol polyricinoleate and calcium caseinate as mangiferin carrier: insights on formulation and stability properties.  INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY,  57  (8): (5268-5279).  [PMID:] [10.1111/ijfs.15856]
10. Jianming Pan, Yijie Yin, Yunlei Zhang, Runrun Wu, Xiaohui Dai, Yongsheng Yan.  (2015)  Thermoresponsive and magnetic molecularly imprinted polymers based on iron oxide encapsulated carbon nanotubes as a matrix for the selective adsorption and controlled release of 2,4,5-trichlorophenol.  JOURNAL OF APPLIED POLYMER SCIENCE,  132  (27):   [PMID:] [10.1002/app.42087]
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