p-Phthaloyl chloride(TPC) - ≥97% , CAS No.100-20-9

CAS: 100-20-9 Cat. No.: P108668 Molecular Weight: 203.02 Beilstein Registry Number: 607796 EC Number: 202-829-5

GRADE & PURITY ≥97%

Synonyms

Terephthaloyl chloride, >=99%, flakes | Terephthalic dichloride | Terephthalic acid dichloride | p-Phthalyl dichloride | Terephthaloyl chloride | Q-201791 | DTXCID506653 | HSDB 5332 | Q7702072 | SCHEMBL68148 | CAS-100-20-9 | terephthalic chloride | CCRIS

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

FedEx DG Service

Overview

Product Application：

Terephthaloyl chloride acts as a monomer with p-phenylenediamine used in the preparation of polymer viz. poly paraphenylene terephthalamide. It is an active component in performance polymers and aramid fibers, which gives flame resistance, chemical resistance, temperature stability, light weight, and very high strength. It is also used as an effective water scavenger, utilized to stabilize isocyanates and urethane prepolymers. Further, it is used in the preparation of liquid crystalline thermosets by thermal cyclotrimerization of dicyanate compounds of ring substituted bis(4-hydroxyphenyl) terepthalates. In addition to this, it is involved in the condensation reaction with difunctional alfa, µ-diaminopolystyrene to get chain-extended polystyrene containing amide bonds along the polymer backbone.

Specifications

Synonyms

Terephthaloyl chloride, >=99%, flakes | Terephthalic dichloride | Terephthalic acid dichloride | p-Phthalyl dichloride | Terephthaloyl chloride | Q-201791 | DTXCID506653 | HSDB 5332 | Q7702072 | SCHEMBL68148 | CAS-100-20-9 | terephthalic chloride | CCRIS

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504751359
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751359
• Canonical Smiles: C1=CC(=CC=C1C(=O)Cl)C(=O)Cl
• IUPAC Name: benzene-1,4-dicarbonyl chloride
• InChIKey: LXEJRKJRKIFVNY-UHFFFAOYSA-N
• INCHI: 1S/C8H4Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H
• Isomeric SMILES: C1=CC(=CC=C1C(=O)Cl)C(=O)Cl
• WGK Germany: 3
• RTECS: WZ1797000
• UN Number: 2923
• Packing Group: I
• Molecular Weight: 203.02
• Beilstein: 607796
• Reaxy-Rn: 607796
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607796&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
• External Descriptors: Not available

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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol, ether and other common organic solvents.
• Sensitivity: Moisture Sensitive
• Flash Point(°F): 356°F
• Flash Point(°C): 180℃
• Boil Point(°C): 259°C
• Melt Point(°C): 82-84°C
• Molecular Weight: 203.020 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 201.959 Da
• Monoisotopic Mass: 201.959 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 173.000
• 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

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