1,2,4-Trichlorobenzene - PureSpectra™, Spectrum pure , CAS No.120-82-1

CAS: 120-82-1 Cat. No.: T103303 Molecular Weight: 181.45 Beilstein Registry Number: 956819 EC Number: 204-428-0 PubChem CID: 13
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GRADE & PURITY PureSpectra™ ? PureSpectra™ — Aladdin's premium line for spectroscopy applications. Use where low spectral background ensures clean UV/Vis/IR measurements. Spectrum pure ? Spectrum-pure grade with impurities controlled to a spectroscopically clean baseline. Use for spectroscopy where background signals must be minimal.
Synonyms
AI3-07775 | as-trichlorobenzene | MFCD00000547 | DTXSID0021965 | T0376 | Trichlorobenzene A | 1,2,4-trichlorobenzene | 1,2,4-trichloro-benzene | EN300-20533 | NSC 406697 | CCRIS 5945 | NCGC00254336-01 | BIDD:ER0328 | NCGC00090833-04 | Tox21_201311 | 1,2,4
Storage
Room temperature,Desiccated
Shipped In
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Size
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Price
Qty
500ml
T103303-500ml
1
$103.90
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Why this grade

PureSpectra™, Spectrum pure PureSpectra™,Spectrum pure for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature,Desiccated 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 40 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
AI3-07775 | as-trichlorobenzene | MFCD00000547 | DTXSID0021965 | T0376 | Trichlorobenzene A | 1, 2, 4-trichlorobenzene | 1, 2, 4-trichloro-benzene | EN300-20533 | NSC 406697 | CCRIS 5945 | NCGC00254336-01 | BIDD:ER0328 | NCGC00090833-04 | Tox21_201311 | 1, 2, 4
Specifications & Purity
PureSpectra™, Spectrum pure
Storage
Room temperature, Desiccated
Shipped In
FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
PureSpectra™, Spectrum pure
Names and Identifiers
Canonical SmilesC1=CC(=C(C=C1Cl)Cl)Cl
IUPAC Name1,2,4-trichlorobenzene
InChIKeyPBKONEOXTCPAFI-UHFFFAOYSA-N
INCHI1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
Isomeric SMILES C1=CC(=C(C=C1Cl)Cl)Cl
WGK Germany 3
RTECS DC2100000
PubChem CID 13
UN Number 2321
Packing Group III
Molecular Weight 181.45
Beilstein 956819

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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
ClassBenzene and substituted derivatives
SubclassHalobenzenes
Intermediate Tree Nodes Not available
Direct ParentChlorobenzenes
Alternative Parents Aryl chlorides  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors a small molecule
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 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):
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100 results found

Lot NumberCertificate TypeDateItem
C2618487Certificate of AnalysisMar 13, 2026 T103303
C2618486Certificate of AnalysisMar 13, 2026 T103303
B2625860Certificate of AnalysisFeb 06, 2026 T103303
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H2322431Certificate of AnalysisJul 20, 2023 T103303
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H2322429Certificate of AnalysisJun 28, 2023 T103303
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E23261189Certificate of AnalysisMay 19, 2023 T103303
E23261188Certificate of AnalysisMay 19, 2023 T103303
A2304556Certificate of AnalysisNov 09, 2022 T103303
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C2205255Certificate of AnalysisMar 21, 2022 T103303
C2224229Certificate of AnalysisMar 15, 2022 T103303
C2224228Certificate of AnalysisMar 15, 2022 T103303

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Chemical and Physical Properties
SolubilityIt can be miscible with ether, benzene, petroleum ether and carbon disulfide, soluble in oil, slightly soluble in ethanol, insoluble in water, water solubility: 49 mg / L (20 ° C).
SensitivityMoisture sensitive.
Refractive Index1.5524
Flash Point(°F)235.4 °F - closed cup
Flash Point(°C)110℃
Boil Point(°C)214 °C (lit.)
Melt Point(°C)16 °C (lit.)
Molecular Weight181.400 g/mol
XLogP34.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass179.93 Da
Monoisotopic Mass179.93 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.300
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
Documents & Articles
Citations of This Product
References
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2. Yang Feng, Hua Qiu, Panhong Deng, Zhuguang Nie, Jinqiu Chen, Kaijie Gong, Xiaodong Fan, Shuhua Qi.  (2023)  Tuning the static and dynamic properties of epoxy vitrimers through modulation of cross-link density.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2023.112308]
3. Wei Dong, Qin Zhou, Wangqiang Shen, Le Yang, Peng Jin, Xing Lu, Yongfu Lian.  (2023)  The Various Packing Structures of Tb@C82 (I, II) Isomers in Their Cocrystals with Ni(OEP).  Nanomaterials,  13  (6): (994).  [PMID:36985888] [10.3390/nano13060994]
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5. Zhentao Li, Zhengzheng Liao, Jinfang Hu, Zilin Chen.  (2023)  In situ growth of imine-based covalent organic framework as stationary phase for high-efficiency electrochromatographic separation.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36881971] [10.1016/j.chroma.2023.463905]
6. Bowen Du, Xiao Chen, Yu Ling, Tiantian Niu, Weixiang Guan, Jipeng Meng, Haoquan Hu, Chi-Wing Tsang, Changhai Liang.  (2022)  Hydrogenolysis-Isomerization of Waste Polyolefin Plastics to Multibranched Liquid Alkanes.  ChemSusChem,  16  (3): (e202202035).  [PMID:36480423] [10.1002/cssc.202202035]
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11. Ishrat Mubeen, Sattrawut Tulaphol, Lu Shengyong, Denggao Pan, Pengfei Zhang, Muhammad Sajid Khan, Mi Yan, William R. Stevens.  (2020)  Online measurement of 1,2,4-trichlorobenzene as dioxin indicator on multi-walled carbon nanotubes.  ENVIRONMENTAL POLLUTION,      [PMID:33137681] [10.1016/j.envpol.2020.115329]
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19. Rong Wang, Zhenkun Mao, Zilin Chen.  (2018)  Monolithic column with polymeric deep eutectic solvent as stationary phase for capillary electrochromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30274692] [10.1016/j.chroma.2018.09.046]
20. Yinhui Yang, Zhengfeng Chang, Xiaohong Yang, Meiling Qi, Jinliang Wang.  (2018)  Selectivity of hexaphenylbenzene-based hydrocarbon stationary phase with propeller-like conformation for aromatic and aliphatic isomers.  ANALYTICA CHIMICA ACTA,      [PMID:29534806] [10.1016/j.aca.2018.01.048]
21. Wenjing Qiao, Shujun Ye, Jichun Wu, Ming Zhang.  (2018)  Surfactant-Enhanced Electroosmotic Flushing in a Trichlorobenzene Contaminated Clayey Soil.  Groundwater,  56  (4): (673-679).  [PMID:29320601] [10.1111/gwat.12631]
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36. Wenqi Sun, Yikun Liu, Wei Zhou, Zhentao Li, Zilin Chen.  (2021)  In-situ growth of a spherical vinyl-functionalized covalent organic framework as stationary phase for capillary electrochromatography-mass spectrometry analysis.  TALANTA,      [PMID:33934787] [10.1016/j.talanta.2021.122330]
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