Trimestersäure - ≥98% , CAS No.554-95-0

CAS: 554-95-0 Cat. No.: T109692 Summenformel: C₆H₃(CO₂H)₃ Molekulargewicht: 210.14 Beilstein Registry Number: 2053080 EG-Nummer: 209-077-7 PubChem CID: 11138

QUALITÄT & REINHEIT ≥98%

Synonyms

H3BTC|BTC|TMA|1,3,5-BENZENETRICARBOXYLIC ACID|benzene-1,3,5-tricarboxylic acid|5-Carboxyisophthalic acid|Trimesic acid|1,3,5-Benzene tricarboxylic acid|1,5-Tricarboxybenzene|benzene-1,3,5-tricarboxylicacid|Trimesinic acid|H3BTCt|Trimesitinic acid

Storage

Raumtemperatur

Shipped In

Normal

Übersicht

anwendung：

1,3,5-Benzenetricarbonsäure wird für die Herstellung von Kunststoffen, Chemiefasern, wasserlöslichen Alkylharzen, Weichmachern und Medikamenten verwendet. Sie wird auch als pharmazeutisches Zwischenprodukt, Epoxidhärtungsmittel, Weichmacher, Klebstoff und Beschichtungsmaterial verwendet. Außerdem wird es mit para-Hydroxypyridin kombiniert, um ein Gel auf Wasserbasis herzustellen.

Spezifikationen

Synonyme

H3BTC | BTC | TMA | 1,3,5-BENZENETRICARBOXYLIC ACID | benzene-1,3,5-tricarboxylic acid | 5-Carboxyisophthalic acid | Trimesic acid | 1,3,5-Benzene tricarboxylic acid | 1,5-Tricarboxybenzene | benzene-1,3,5-tricarboxylicacid | Trimesinic acid | H3BTCt | Trimesitinic acid

Spezifikationen & Reinheit

≥98%

Storage

Raumtemperatur

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488181270

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181270

Kanonisches Lächeln

C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O

IUPAC Name

benzene-1,3,5-tricarboxylic acid

InChIKey

QMKYBPDZANOJGF-UHFFFAOYSA-N

INCHI

1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)

Isomere SMILES

C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O

WGK Deutschland

3

PubChem CID

11138

Molekulargewicht

210.14

Beilstein

2053080

Reaxy-Rn

2053080

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Benzoic acids Benzoyl derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• External Descriptors: tricarboxylic acid - benzoic acids

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

Zugehörige Ziele (menschlich)

LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

Discover Target: LCK

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

Zugehörige Ziele (nicht menschlich)

Escherichia coli (133304 Activities)

Explore this target

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

Bacillus subtilis (32866 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water, ethanol and methanol.
• Flammpunkt (°F): 622°F
• Flammpunkt (°C): 328℃
• Schmelzpunkt (°C): >300°C
• Molekulargewicht: 210.140 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 210.016 Da
• Monoisotopic Mass: 210.016 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 237.000
• 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