1,2,4,5-Tetrachlorobenzene - analytical standard , CAS No.95-94-3

CAS: 95-94-3 Cat. No.: T104971 Molecular Weight: 215.89 Beilstein Registry Number: 5205 EC Number: 202-466-2
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
1,2,4,5-TETRACHLOROBENZENE|95-94-3|s-Tetrachlorobenzene|Benzene, 1,2,4,5-tetrachloro-|Benzene tetrachloride|RCRA waste number U207|1,2,4,5-Tetrachlorbenzol|DTXSID7024320|CHEBI:36697|5N27529KGH|NSC-27003|12408-10-5|DTXCID604320|CAS-95-94-3|CCRIS 766|UNII-5
Storage
Room temperature
Shipped In
FedEx DG Service
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Size
Status
Price
Qty
1g
T104971-1g
2
$91.90
5g
T104971-5g
3

$313.90

$410.90
Save $97.00 (23.61%)
10g
T104971-10g
2

$554.90

$737.90
Save $183.00 (24.80%)
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Why this grade

analytical standard Analytical standard 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
1, 2, 4, 5-TETRACHLOROBENZENE | 95-94-3 | s-Tetrachlorobenzene | Benzene, 1, 2, 4, 5-tetrachloro- | Benzene tetrachloride | RCRA waste number U207 | 1, 2, 4, 5-Tetrachlorbenzol | DTXSID7024320 | CHEBI:36697 | 5N27529KGH | NSC-27003 | 12408-10-5 | DTXCID604320 | CAS-95-94-3 | CCRIS 766 | UNII-5
Specifications & Purity
analytical standard
Storage
Room temperature
Shipped In
FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Analytical standard
Names and Identifiers
Canonical SmilesC1=C(C(=CC(=C1Cl)Cl)Cl)Cl
IUPAC Name1,2,4,5-tetrachlorobenzene
InChIKeyJHBKHLUZVFWLAG-UHFFFAOYSA-N
INCHI1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
Isomeric SMILES C1=C(C(=CC(=C1Cl)Cl)Cl)Cl
UN Number 3077
Packing Group III
Molecular Weight 215.89
Beilstein 5205

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
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 chloroaromatic compound
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 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:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeDateItem
G1227032Certificate of AnalysisOct 14, 2025 T104971
D23211707Certificate of AnalysisJan 15, 2025 T104971
D23211708Certificate of AnalysisJan 15, 2025 T104971
D23211710Certificate of AnalysisJan 15, 2025 T104971
H1615014Certificate of AnalysisApr 14, 2022 T104971
Chemical and Physical Properties
Flash Point(°C)155°C
Boil Point(°C)248°C
Melt Point(°C)139-142°C
Molecular Weight215.900 g/mol
XLogP34.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass215.888 Da
Monoisotopic Mass213.891 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count10
Formal Charge0
Complexity90.300
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
Citations of This Product
References
1. Boying Yue, Xiyue Wang, Lili Lian, Yanyan Wang, Wenxiu Gao, Hao Zhang, Jinfeng Zhao, Dawei Lou.  (2023)  A fiber-packed needle-type extraction device with ionic liquid-based molecularly imprinted polymer as coating for extraction of chlorobenzenes in water samples.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.108592]
2. Yueyue Shen, Shilin Zhao, Yue Li, Qian Liu, Chongdi Ma, Hui Mao, Yang Liao, Jun Ma.  (2017)  A feasible approach to dispose of soil washing wastes: adsorptive removal of chlorobenzene compounds in aqueous solutions using humic acid modified with monoolein (HA–M).  RSC Advances,  (16): (9662-9668).  [PMID:] [10.1039/C6RA17949E]
3. Zhang Tianhao, Tian Yuan, Zhang Chong, Yan Tingting, Yan Hanwen, Zhang Guoliang, Li Jie, Li Zengxi, Wang Gang, Li Chunshan, Zhang Suojiang.  (2025)  Electronically tailored metal-ion-chelation strategy promotes ionic liquid catalysis at near-ambient condition.  Nature Communications,  16  (1): (1-12).  [PMID:41022719] [10.1038/s41467-025-63630-9]
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