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

CAS: 120-82-1 Cat. No.: T103303 Summenformel: C₆H₃Cl₃ Molekulargewicht: 181.45 Beilstein Registry Number: 956819 EG-Nummer: 204-428-0 PubChem CID: 13

GRADE & PURITY PureSpectra™, Spectrum pure

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

FedEx DG Service

Specifications

Synonyme

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

Spezifikationen & Reinheit

PureSpectra™, Spectrum pure

Storage

Room temperature,Desiccated

Verschickt in

FedEx DG Service

Note

PureSpectra™, Spectrum pure

Namen und Kennungen

Pubchem Sid

528753601

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

3

RTECS

DC2100000

PubChem CID

13

UN-Nummer

2321

Verpackungsgruppe

III

Molekulargewicht

181.45

Beilstein

956819

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

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AR Tclin Androgen Receptor (11781 Activities)

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

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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Zugehörige Ziele (nicht menschlich)

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

Discover Target: Nfe2l2

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: 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).
• Empfindlichkeit: Moisture sensitive.
• Brechungsindex: 1.5524
• Flammpunkt (°F): 235.4 °F - closed cup
• Flammpunkt (°C): 110℃
• Siedepunkt (°C): 214 °C (lit.)
• Schmelzpunkt (°C): 16 °C (lit.)
• Molekulargewicht: 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