1,2,4-Trichlorobenzene - ≥99% , CAS No.120-82-1

CAS: 120-82-1 Cat. No.: T103299 Formula: C₆H₃Cl₃ Peso molecolare: 181.45 Beilstein Registry Number: 956819 Numero EC: 204-428-0 PubChem CID: 13

GRADE & PURITY ≥99%

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

Protected from light,Room temperature

Shipped In

FedEx DG Service

Panoramica

A compound used in soil and ground water contamination studies.

1,2,4-Trichlorobenzene is a highly chlorinated aromatic solvent. It is mainly used as intermediate in dyes, pesticides and also as a lubricant. 
Application
1,2,4-Trichlorobenzene may be used as a solvent to prepare:
dimethylketene β-lactone dimer from tetramethyl-1,3-cyclobutanedione salicyl-o-toluide by the reaction of phenyl salicylate and o-toluidine

Specifications

Sinonimi

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

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature

Spedito in

FedEx DG Service

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

504750340

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750340

Sorrisi canonici

C1=CC(=C(C=C1Cl)Cl)Cl

IUPAC Name

1,2,4-trichlorobenzene

InChIKey

PBKONEOXTCPAFI-UHFFFAOYSA-N

INCHI

1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H

Isomeri SMILES

C1=CC(=C(C=C1Cl)Cl)Cl

WGK Germania

3

RTECS

DC2100000

PubChem CID

13

Numero UN

2321

Gruppo di imballaggio

III

Peso molecolare

181.45

Beilstein

956819

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Data sources

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

Obiettivi associati (umani)

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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Miscible with ether, benzene, CS{2}.Immiscible with water.
• Sensibilità: Light sensitive.
• Indice di rifrazione: 1.5524
• Punto di infiammabilità (°F): 235.4 °F - closed cup
• Punto di infiammabilità (°C): 110℃
• Punto di ebollizione (°C): 214 °C (lit.)
• Punto di fusione (°C): 16 °C (lit.)
• Peso molecolare: 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 Ų
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 120-82-1, the molecular formula is C6H3Cl3, and the molecular weight is 181.45 g/mol. InChIKey PBKONEOXTCPAFI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.