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Isophthaloyl chloride - 98%, high purity , CAS No.99-63-8

    Grade & Purity:
  • ≥98%
In stock
Item Number
I128637
Grouped product items
SKU Size
Availability
Price Qty
I128637-25g
25g
2
$9.90
I128637-100g
100g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$29.90
I128637-500g
500g
3
$39.90

Basic Description

Synonyms ICI | Isothaloyl chloride | Tox21_303056 | 3-(2-morpholinoethylamino)-6-phenyl-pyridazine-4-carbonitrile | W-100026 | Dichlorid kyseliny isoftalove | isophthaloylchloride | A846057 | Isophthaloyl chloride | EINECS 202-774-7 | NSC41884 | NSC-41884 | Isopht
Specifications & Purity ≥98%
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504751348
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504751348
IUPAC Name benzene-1,3-dicarbonyl chloride
INCHI InChI=1S/C8H4Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H
InChIKey FDQSRULYDNDXQB-UHFFFAOYSA-N
Smiles C1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl
Isomeric SMILES C1=CC(=CC(=C1)C(=O)Cl)C(=O)Cl
WGK Germany 1
RTECS NT2625000
UN Number 2923
Packing Group I
Molecular Weight 203.02
Beilstein 638342
Reaxy-Rn 638342
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=638342&ln=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number Certificate Type Date Item
F2414073 Certificate of Analysis Dec 08, 2023 I128637
K2327205 Certificate of Analysis Dec 08, 2023 I128637
K2126491 Certificate of Analysis Jan 22, 2022 I128637

Chemical and Physical Properties

Sensitivity Moisture Sensitive,Heat Sensitive
Flash Point(°F) 180℃
Flash Point(°C) 180℃
Boil Point(°C) 276°C
Melt Point(°C) 43-44°C
Molecular Weight 203.020 g/mol
XLogP3 3.600
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 183.000
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

Citations of This Product

1. Xiaowei Zhou, Yuchen Zhang, Guolong Huo, Zhiguang Zhang, Junhao Xin, Shuanyan Kang, Zhenggong Wang, Nanwen Li.  (2023)  Rationally designed fluorinated aromatic polyamide membrane for stable air dehumidification.  JOURNAL OF MEMBRANE SCIENCE,  687  (122042). 
2. Zhoufeng Wang, Junwei Hu, Bolin Wang, Yingying Liu, Xiubo Long.  (2023)  Synthesis and characterization of aromatic copolyesters derived from bisphenol B and phenol red.  JOURNAL OF APPLIED POLYMER SCIENCE,  140  (38): (e54439). 
3. Zhoufeng Wang, Junwei Hu, Bolin Wang, Yingying Liu, Xiubo Long.  (2022)  Synthesis and properties of copolyarylates containing phenol red units.  JOURNAL OF APPLIED POLYMER SCIENCE,  140  (7): (e53465). 
4. Liling Jing, Pengfei Yang, Xiaoli Lu, Haoran Tian, Jinlong Mao, Junying Li, Feng Ma, Zhiliang Zhang.  (2023)  Photochemical-initiated hydrophobic surface modification by benzophenone derivatives and its application on oil-water separation.  APPLIED SURFACE SCIENCE,  608  (155125). 
5. Chengdong Guan, Lijuan Yang, Lijun Zhu, Daohong Xia.  (2022)  Development of a novel poly-pseudorotaxane poly (m-phenylene isophthalamide) membrane with a biomimetic surface for effective oil-in-water emulsion separation.  Journal of Water Process Engineering,  49  (103154). 
6. Shuhao Wang, Shaosuo Bing, Haoyong Zhang, Yong Zhou, Lin Zhang, Congjie Gao.  (2022)  Surface engineering design of polyamide membranes for enhanced boron removal in seawater desalination.  JOURNAL OF MEMBRANE SCIENCE,  651  (120425). 
7. Tianwen Dai, Shuaiwei Yuan, Huawei Zou, Pengbo Liu.  (2021)  Synthesis and thermal degradable property of novel tertiary ester-containing four-functional epoxy resin.  POLYMERS FOR ADVANCED TECHNOLOGIES,  32  (9): (3740-3749). 
8. Rui Yang, Boran Hao, Lin Sun, Kan Zhang.  (2020)  Cross-linked poly(benzoxazole-co-siloxane) networks with high thermal stability and low dielectric constant based on a new ortho-amide functional benzoxazine.  JOURNAL OF APPLIED POLYMER SCIENCE,  138  (6): (49792). 
9. Yuan Liu, Jun Zhao, Yunyan Peng, Jun Luo, Lijun Cao, Xiaoqing Liu.  (2020)  Comparative Study on the Properties of Epoxy Derived from Aromatic and Heteroaromatic Compounds: The Role of Hydrogen Bonding.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,  59  (5): (1914–1924). 
10. Nanping Deng, Eya Ben Ticha, Liyuan Wang, Quanxiang Li, Huijuan Zhao, Lu Gao, Min Liu, Yong Liu, Weimin Kang, Bowen Cheng.  (2019)  Physical Inhibition and Chemical Confinement of Lithium Polysulfides by Designing a Double-Layer Composite Separator for Lithium-Sulfur Battery.  ChemElectroChem,  (18): (4817-4830). 
11. Kai Ma, Guofei Chen, Wei Wang, Anjiang Zhang, Yingying Zhong, Yajie Zhang, Xingzhong Fang.  (2018)  Partially bio-based aromatic polyimides derived from 2,5-furandicarboxylic acid with high thermal and mechanical properties.  JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY,  56  (10): (1058-1066). 
12. Pengqing Liu, Ting Wu, Meiwu Shi, Guangdou Ye, Jianjun Xu.  (2010)  Synthesis and characterization of readily soluble polyarylates derived from either 1,1-bis(4-hydroxyphenyl)-1-phenylethane or tetramethylbisphenol A and aromatic diacid chlorides.  JOURNAL OF APPLIED POLYMER SCIENCE,  119  (4): (1923-1930). 
13. Mengfan Wang, Shao-Lu Li, Youcai Chen, Qiyu Duan, Dandan Cheng, Genghao Gong, Yunxia Hu.  (2024)  Construction of ultrathin and microporous polyesteramide nanofilms for efficient organic solvent nanofiltration (OSN) using diacyl chloride.  JOURNAL OF MEMBRANE SCIENCE,  698  (122605). 
14. Shihao Fan, Yi Liu, Wanglong Jia, Liuchun Zheng.  (2025)  Design and Synthesis of Flexible Meta-Aramid With Higher Dyeability.  JOURNAL OF APPLIED POLYMER SCIENCE,    (e56871). 
15. Tong-Yu Bai, Xiang-Xin Xiao, Guan-Qi Zheng, Qin Zhang, Zi-Ni Wang, Li Chen, Bo-Wen Liu, Yu-Zhong Wang.  (2024)  Fire-safe and mechanically robust polycarbonate composite enabled by novel copolymerization/macromolecular blending strategy.  POLYMER DEGRADATION AND STABILITY,    (111056). 
16. Qiyu Duan, Shao-Lu Li, Youcai Chen, Mengfan Wang, Dandan Cheng, Genghao Gong, Yunxia Hu.  (2024)  High selective organic solvent nanofiltration composite membranes constructed from hydroxyl binaphthol and diacyl chloride by interfacial polymerization.  SEPARATION AND PURIFICATION TECHNOLOGY,  346  (127539). 
17. 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,  722  (123858). 
18. Keke Yang, Hou Bo, Dewei Ma, Mingwei Peng, Qinglong Liu, Ziwen Heng, Zhongwei Gu, Xuhan Liu, Siyuan Chen.  (2024)  pH and glucose dual-responsive phenylboronic acid hydrogels for smart insulin delivery.  Soft Matter,     
19. Zhoufeng Wang, Bolin Wang, Yingying Liu, Xiubo Long, Wenlong Yao.  (2024)  Reaction strategies of bisphenol A derivatives to regulate the microstructure of polyarylates: synthesis of bisphenol S/bisphenol A random polyarylates and block polyarylates.  NEW JOURNAL OF CHEMISTRY,  48  (36): (16107-16118). 
20. Zhoufeng Wang, Xiubo Long, Bolin Wang, Guojun Cheng, Guoxin Ding, Yingying Liu, Wenlong Yao.  (2024)  Study on the synthesis and properties of a new fluorine-containing copolyarylate.  JOURNAL OF APPLIED POLYMER SCIENCE,  141  (35): (e55891). 

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