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1,2,4-Trichlorobenzene - Standard for GC, ≥99.5% (GC), high purity , CAS No.120-82-1

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1,2,4-Trichlorobenzene - Standard for GC, ≥99.5% (GC), high purity , CAS No.120-82-1

34 Citations

COA

Grade & Purity:

Standard for GC

≥99.5%(GC)

Cas Number: 120-82-1
Molecular Weight: 181.45
Beilstein Registry Number: 956819
EC Number: 204-428-0
MDL number: MFCD00000547
PubChem CID: 13

In stock

Item Number

T103300

Grouped product items
SKU	Size	Availability	Price	Qty
T103300-5ml	5ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$25.90

Basic Description

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	Standard for GC, ≥99.5%(GC)
Storage Temp	Room temperature,Desiccated
Shipped In	Normal
Grade	Standard for GC

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 small molecule
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)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

Associated Targets(non-human)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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-trichlorobenzene
INCHI	InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey	PBKONEOXTCPAFI-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Cl)Cl)Cl
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

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.

3 results found

Lot Number	Certificate Type	Date	Item
C2330841	Certificate of Analysis	Jan 10, 2025	T103300
C2330829	Certificate of Analysis	Jan 10, 2025	T103300
D1923141	Certificate of Analysis	Nov 11, 2022	T103300

Chemical and Physical Properties

Solubility	It 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).
Sensitivity	Moisture sensitive.
Refractive Index	1.5524
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 Weight	181.400 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	179.93 Da
Monoisotopic Mass	179.93 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.300
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

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