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Isophthalic acid - Analytical Reagent,>99.0%, high purity , CAS No.121-91-5

    Grade & Purity:
  • AR
  • ≥99%
In stock
Item Number
I104311
Grouped product items
SKU Size
Availability
Price Qty
I104311-25g
25g
3
$9.90
I104311-100g
100g
3
$13.90
I104311-250g
250g
4
$19.90
I104311-500g
500g
3
$26.90

Basic Description

Synonyms IPA | 3-Carboxybenzoic acid; Isoterephthalic acid; NSC 15310; m-Benzenedicarboxylic acid | UNII-X35216H9FJ | WLN: QVR CVQ | Z104475158 | J-004707 | J-521560 | 3-CARBOXYBENZOIC ACID | Acide isophtalique | Acide isophtalique [French] | CHEBI:30802 | DTXCID3
Specifications & Purity AR, ≥99%
Shipped In Normal
Grade AR

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Benzoic acids and derivatives
Intermediate Tree Nodes Phthalic acid and derivatives
Direct Parent M-phthalic acid and derivatives
Alternative Parents Benzoic acids  Benzoyl derivatives  Dicarboxylic acids and derivatives  Carboxylic acids  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Meta_phthalic_acid - Benzoic acid - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
External Descriptors benzenedicarboxylic acid

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

dapA Dihydrodipicolinate synthase (65 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 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 504751694
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504751694
IUPAC Name benzene-1,3-dicarboxylic acid
INCHI InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKey QQVIHTHCMHWDBS-UHFFFAOYSA-N
Smiles C1=CC(=CC(=C1)C(=O)O)C(=O)O
Isomeric SMILES C1=CC(=CC(=C1)C(=O)O)C(=O)O
WGK Germany 2
RTECS NT2007000
Molecular Weight 166.13
Beilstein 1909332
Reaxy-Rn 1909332
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909332&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.

29 results found

Lot Number Certificate Type Date Item
F2510724 Certificate of Analysis May 22, 2025 I104311
F2510420 Certificate of Analysis May 22, 2025 I104311
F2510703 Certificate of Analysis May 22, 2025 I104311
F2510701 Certificate of Analysis May 22, 2025 I104311
F2510702 Certificate of Analysis May 22, 2025 I104311
L2320263 Certificate of Analysis Nov 24, 2023 I104311
F2506088 Certificate of Analysis Nov 24, 2023 I104311
L2320262 Certificate of Analysis Nov 24, 2023 I104311
L2403263 Certificate of Analysis Nov 24, 2023 I104311
A2508203 Certificate of Analysis Nov 24, 2023 I104311
D2324624 Certificate of Analysis Apr 04, 2023 I104311
D2324527 Certificate of Analysis Apr 04, 2023 I104311
D2324553 Certificate of Analysis Apr 04, 2023 I104311
D2324652 Certificate of Analysis Apr 04, 2023 I104311
D2324554 Certificate of Analysis Apr 04, 2023 I104311
D2324642 Certificate of Analysis Apr 04, 2023 I104311
A2305568 Certificate of Analysis Nov 12, 2022 I104311
A2305567 Certificate of Analysis Nov 12, 2022 I104311
A2305692 Certificate of Analysis Nov 12, 2022 I104311
A2305580 Certificate of Analysis Nov 12, 2022 I104311
A2305571 Certificate of Analysis Nov 12, 2022 I104311
A2305554 Certificate of Analysis Nov 12, 2022 I104311
A2305570 Certificate of Analysis Nov 12, 2022 I104311
A2305574 Certificate of Analysis Nov 12, 2022 I104311
A2224128 Certificate of Analysis Dec 14, 2021 I104311
A2224382 Certificate of Analysis Dec 14, 2021 I104311
A2224133 Certificate of Analysis Dec 14, 2021 I104311
A2224137 Certificate of Analysis Dec 14, 2021 I104311
A2224121 Certificate of Analysis Dec 14, 2021 I104311

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Chemical and Physical Properties

Solubility Solubility in 1mol/L NaOH :almost transparency
Sensitivity Moisture sensitive.
Melt Point(°C) 345-348°C
Molecular Weight 166.130 g/mol
XLogP3 1.700
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 166.027 Da
Monoisotopic Mass 166.027 Da
Topological Polar Surface Area 74.600 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 179.000
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

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4. Gao Zhuangzhuang, Li Baoju, Ou Shuxian, Li Dongsheng, Fang Qianrong, Qiu Shilun, Xue Ming.  (2023)  Highly Durable MIL-96 Membranes via a One-step Active γ-Alumina Conversion Strategy for Gas Separation.  CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,  39  (6): (1084-1091). 
5. Ya-Qi Zhao, Shi-Song Yu, Meng-Ying Chen, Yuan Wang, Yu-Jun Shi, Xin-Yu Wang, Jia-Meng Zhao, Lin-Yi Dong, Zhen-Yu Zhao, Xian-Hua Wang.  (2023)  Synthesis of micron-sized magnetic agarose beads chelated with nickel ions towards the affinity-based separation of histidine-tagged/rich proteins.  JOURNAL OF CHROMATOGRAPHY A,  1708  (464365). 
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