Terephthalamic Acid - ≥95%(HPLC) , CAS No.6051-43-0

CAS: 6051-43-0 Cat. No.: T162190 Summenformel: C₈H₇NO₃ Molekulargewicht: 165.15 EG-Nummer: 674-304-2 PubChem CID: 506057

GRADE & PURITY ≥95%(HPLC)

Synonyms

4-(Aminocarbonyl)benzoic acid | 4-(Aminocarbonyl)benzoic acid # | CHEBI:50738 | SY050472 | 4-carboxamidobenzoic acid | EN300-22749 | terephthalic acid monoamide, AldrichCPR | Terephthalicacidmonoamide | 4-Carbamoylbenzoic acid | Terephthalic acid monoamid

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4-(Aminocarbonyl)benzoic acid | 4-(Aminocarbonyl)benzoic acid # | CHEBI:50738 | SY050472 | 4-carboxamidobenzoic acid | EN300-22749 | terephthalic acid monoamide, AldrichCPR | Terephthalicacidmonoamide | 4-Carbamoylbenzoic acid | Terephthalic acid monoamid

Spezifikationen & Reinheit

≥95%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%(HPLC)

Namen und Kennungen

• Pubchem Sid: 488189951
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189951
• Kanonisches Lächeln: C1=CC(=CC=C1C(=O)N)C(=O)O
• IUPAC Name: 4-carbamoylbenzoic acid
• InChIKey: JMHSCWJIDIKGNZ-UHFFFAOYSA-N
• INCHI: 1S/C8H7NO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
• Isomere SMILES: C1=CC(=CC=C1C(=O)N)C(=O)O
• PubChem CID: 506057
• Molekulargewicht: 165.15
• Reaxy-Rn: 387658

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzoic acids Benzoyl derivatives Primary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Benzoic acid - Benzoyl - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• External Descriptors: dicarboxylic acid monoamide - carbamoylbenzoic acid

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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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

Discover Target: OPRK1

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NEU3 Tchem Sialidase 3 (398 Activities)

Discover Target: NEU3

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Mus musculus (284745 Activities)

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SIGMAR1 Sigma-1 receptor (3326 Activities)

Discover Target: SIGMAR1

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 248°C(lit.)
• Molekulargewicht: 165.150 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.043 Da
• Monoisotopic Mass: 165.043 Da
• Topological Polar Surface Area: 80.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 194.000
• 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

Referenzen

1. Lian Sun, Quanchao Gu, Honglei Wang, Jinshan Yu, Xingui Zhou.  (2021)  Anhydrous proton conductivity of electrospun phosphoric acid-doped PVP-PVDF nanofibers and composite membranes containing MOF fillers.  RSC Advances,  11  (47): (29527-29536).  [PMID:35479537] [10.1039/D1RA04307B]

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 6051-43-0, the molecular formula is C8H7NO3, and the molecular weight is 165.15 g/mol. InChIKey JMHSCWJIDIKGNZ-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.