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

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

2 Citations

COA

Grade & Purity:

analytical standard

Cas Number: 95-94-3
Molecular Weight: 215.89
Beilstein Registry Number: 5205
EC Number: 202-466-2
MDL number: MFCD00000549
PubChem CID: 7270

In stock

Item Number

T104971

Grouped product items
SKU	Size	Availability	Price
T104971-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$91.90
T104971-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$410.90
T104971-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$737.90

Basic Description

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
Shipped In	Normal
Grade	analytical standard

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Chlorobenzenes
Alternative Parents	Aryl chlorides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1,2,4,5-tetrachlorobenzene
INCHI	InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
InChIKey	JHBKHLUZVFWLAG-UHFFFAOYSA-N
Smiles	C1=C(C(=CC(=C1Cl)Cl)Cl)Cl
Isomeric SMILES	C1=C(C(=CC(=C1Cl)Cl)Cl)Cl
UN Number	3077
Packing Group	III
Molecular Weight	215.89
Beilstein	5205

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 Number	Certificate Type	Date	Item
D23211708	Certificate of Analysis	Jan 15, 2025	T104971
D23211707	Certificate of Analysis	Jan 15, 2025	T104971
D23211710	Certificate of Analysis	Jan 15, 2025	T104971
G1227032	Certificate of Analysis	Apr 27, 2022	T104971
H1615014	Certificate of Analysis	Apr 14, 2022	T104971

Chemical and Physical Properties

Flash Point(°C)	155°C
Boil Point(°C)	248°C
Melt Point(°C)	139-142°C
Molecular Weight	215.900 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	215.888 Da
Monoisotopic Mass	213.891 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	90.300
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

Citations of This Product

How to Cite Aladdin Scientific Products?

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, 190 (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, 7 (16): (9662-9668).

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