structure of Terephthaloyl chloride

Terephthaloyl chloride

CAS No.: 100-20-9
M. Wt: 203.022
M. Fa: C8H4Cl2O2
InChI Key: LXEJRKJRKIFVNY-UHFFFAOYSA-N
Appearance: White to Almost white powder to crystal

Names and Identifiers of Terephthaloyl chloride

CAS Number

100-20-9

EC Number

202-829-5

MDL Number

MFCD00000693

IUPAC Name

benzene-1,4-dicarbonyl chloride

InChI

InChI=1S/C8H4Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H

InChIKey

LXEJRKJRKIFVNY-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=CC=C1C(=O)Cl)C(=O)Cl

UNII

G247CO9608

UNSPSC Code

12352100

Physical and chemical properties of Terephthaloyl chloride

Boiling Point

264 °C

BRN

607796

Density

1.32 g/cm³

Exact Mass

201.958832

explosive limit

1.5-8.9%(V)

Flash Point

180 °C

Index of Refraction

1.571

LogP

0.88 (calculated)

Melting Point

79.5-84 °C

Molecular Formula

C8H4Cl2O2

Molecular Weight

203.022

pH

<0.5 (H2O)

PSA

34.14000

Sensitivity

Moisture Sensitive

Solubility

Solubility in water: reaction

Storage condition

2-8°C

Vapour density

7 (vs air)

Vapour Pressure

Vapor pressure, Pa at 20 °C: 320

Water Solubility

REACTS

Safety Information of Terephthaloyl chloride

Pictograms

Signal Word

 Danger

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of Terephthaloyl chloride

Unique FeaturesTerephthaloyl ChlorideAcyl ChlorideHigh-performance polymers, flame retardantsRapid hydrolysis; forms stable terephthalic acidIsophthaloyl ChlorideAcyl ChlorideSimilar applications as terephthaloyl chlorideSlower hydrolysis rate compared to terephthaloyl chloridePhthalic AnhydrideAnhydrideUsed in plasticizers and resinsLess reactive than acyl chlorides

Interaction Studies of Terephthaloyl chloride

Research has explored the interactions of terephthaloyl chloride with various surfaces and compounds. For instance, studies have shown its adsorption on silver surfaces, revealing insights into its reactivity and potential applications in catalysis. Additionally, interaction studies involving hydrolysis have demonstrated that the compound can form short-lived intermediates that further react to produce stable products.

Physical sample testing spectrum (NMR) of Terephthaloyl chloride

Physical sample testing spectrum (NMR) of Terephthaloyl chloride

Retrosynthesis analysis of Terephthaloyl chloride

  • Route#1

    Cas:18708-46-8
    Cas:100-20-9

  • Route#2

    Cas:1711-02-0
    Cas:201230-82-2
    Cas:100-20-9

  • Route#3

    Cas:14815-86-2
    Cas:100-20-9