Phthaloyl chloride - ≥98% , CAS No.88-95-9

CAS: 88-95-9 Cat. No.: P106938 Formule: C₈H₄Cl₂O₂ Poids moléculaire: 203.02 Beilstein Registry Number: 608200 Numéro CE: 201-869-0

GRADE & PURITY ≥98%

Synonyms

PHTHALOYL CHLORIDE | 1,2-Bis(chlorocarbonyl)benzene | STL453643 | 1,2-Phthaloyl dichloride | benzene-1,2-dicarbonyl dichloride | Phthalic acid dichloride | 1,2-Benzenedicarbonyl dichloride | PHTHALOYL CHLORIDE [MI] | CCRIS 8625 | EINECS 201-869-0 | W-1003

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonymes

PHTHALOYL CHLORIDE | 1,2-Bis(chlorocarbonyl)benzene | STL453643 | 1,2-Phthaloyl dichloride | benzene-1,2-dicarbonyl dichloride | Phthalic acid dichloride | 1,2-Benzenedicarbonyl dichloride | PHTHALOYL CHLORIDE [MI] | CCRIS 8625 | EINECS 201-869-0 | W-1003

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

FedEx DG Service

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528775863
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528775863
• Sourires canoniques: C1=CC=C(C(=C1)C(=O)Cl)C(=O)Cl
• IUPAC Name: benzene-1,2-dicarbonyl chloride
• InChIKey: FYXKZNLBZKRYSS-UHFFFAOYSA-N
• INCHI: 1S/C8H4Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H
• Isomères SMILES: C1=CC=C(C(=C1)C(=O)Cl)C(=O)Cl
• WGK Allemagne: 3
• Numéro ONU: 3265
• Groupe d'emballage: II
• Poids moléculaire: 203.02
• Beilstein: 608200
• Reaxy-Rn: 608200
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608200&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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

Propriétés chimiques et physiques

• Solubilité: Miscible with ether.
• Sensibilité: Moisture & Light sensitive ;air sensitive
• Point de congélation (°C): 12 °C
• Indice de réfraction: 1.5692
• Point d'éclair (°F): 235.4 °F - closed cup
• Point d'éclair (°C): 113 °C - closed cup
• Point d'ébullition (°C): 269-271 °C (lit.)
• Point de fusion (°C): 6-12 °C (lit.)
• Poids moléculaire: 203.020 g/mol
• XLogP3: 2.700
• 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: 181.000
• 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

Références

1. Zhenghui Yang, Haiquan Guo, Chuanqing Kang, Lianxun Gao.  (2021)  Synthesis and characterization of amide-bridged colorless polyimide films with low CTE and high optical performance for flexible OLED displays.  Polymer Chemistry,  12  (37): (5364-5376).  [PMID:] [10.1039/D1PY00762A]

2. Jin Wang, Wubin Wang, Yufei Yan, Yaxuan Liu, Guangxu Zhang, Jizhen Li, Yuyao Wu.  (2025)  Impact of acyl chloride monomers on the structure and performance of polyamide nanofiltration membranes for lithium-magnesium separation.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.123858]

3. Yongchao He, Hanzhao Kuang, Xiaoqing Liu, Hai Zheng, Yinhang Zhang, Xuan Wang, Yinghua Huang, Jinjing Tang, Feng Wang, Xudong Cui, Mingbo Yang, Hang Chen, Yanhao Huang.  (2026)  2D-QSAR-DFT assisted design of unimolecular coumarin oxime ester photoinitiators with terminal fluorobenzene moieties for radical polymerization.  POLYMER,      [PMID:] [10.1016/j.polymer.2026.129738]