Tetrachlorophthalic anhydride - ≥98% , CAS No.117-08-8

CAS: 117-08-8 Cat. No.: T106842 Peso molecular: 285.9 Beilstein Registry Number: 211560 Número EC: 204-171-4 PubChem CID: 8326

GRADE & PURITY ≥98%

Synonyms

NCGC00256940-01 | HSDB 2922 | Q21045245 | A803707 | FT-0657077 | NCGC00091300-01 | BBL000527 | EC 204-171-4 | UNII-76GLW0LBEK | 5-17-11-00260 (Beilstein Handbook Reference) | BRN 0211560 | CP 626 | CCRIS 6202 | J-514038 | 3,4,5,6-tetrachlorophthalic anhyd

Storage

Room temperature,Argon charged,Desiccated

Shipped In

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Specifications

Sinónimos

NCGC00256940-01 | HSDB 2922 | Q21045245 | A803707 | FT-0657077 | NCGC00091300-01 | BBL000527 | EC 204-171-4 | UNII-76GLW0LBEK | 5-17-11-00260 (Beilstein Handbook Reference) | BRN 0211560 | CP 626 | CCRIS 6202 | J-514038 | 3, 4, 5, 6-tetrachlorophthalic anhyd

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated

Enviado en

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504751646
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751646
• Sonrisas canónicas: C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC2=O
• IUPAC Name: 4,5,6,7-tetrachloro-2-benzofuran-1,3-dione
• InChIKey: AUHHYELHRWCWEZ-UHFFFAOYSA-N
• INCHI: 1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
• Isómeros SMILES: C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC2=O
• WGK Alemania: 3
• PubChem CID: 8326
• Número ONU: 3077
• Grupo de embalaje: III
• Peso molecular: 285.9
• Beilstein: 211560

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzofurans
      • Subclass Benzofuranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzofurans
• Subclass: Benzofuranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalic anhydrides
• Alternative Parents: Isobenzofuranones Dicarboxylic acids and derivatives Benzenoids Aryl chlorides Vinylogous halides Carboxylic acid anhydrides Oxacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalic anhydride - Phthalic_anhydride - Isobenzofuranone - Isocoumaran - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid anhydride - Vinylogous halide - Carboxylic acid derivative - Oxacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phthalic anhydrides. These are compounds containing a phthalic anhydride moiety (or a derivative thereof), which consists of a benzene fused to a furan-1,3-dione.
• External Descriptors: tetrachlorobenzene - cyclic dicarboxylic anhydride

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

Objetivos asociados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Hydrolyzes slowly in water.
• Sensibilidad: Moisture sensitive
• Punto de inflamación (°F): 683°F
• Punto de inflamación (°C): 362℃
• Punto de ebullición (°C): 366°C
• Punto de fusión (°C): 255°C
• Peso molecular: 285.900 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 285.857 Da
• Monoisotopic Mass: 283.86 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 291.000
• 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

Referencias

1. Juan Zhang, Shuang Sun, Yuhang Bian, Weikang Li, Ran Liu, Dishun Zhao.  (2018)  Adsorptive desulfurization of metal phthalocyanine functionalized poly-ionic liquids grafted to silica gel.  FUEL,      [PMID:] [10.1016/j.fuel.2018.01.135]