Isophthalic Acid

CAS 121-91-5 · C₈H₆O₄ · MW 166.13 g/mol

Informazioni su Isophthalic Acid

Isophthalic Acid è un composto chimico registrato con il numero CAS 121-91-5, con formula bruta C₈H₆O₄, e massa molare di 166.13 g/mol.

La molecola contiene 18 atomi collegati da 18 legami chimici. Il nome sistematico IUPAC completo di questo composto è benzene-1,3-dicarboxylic acid. Il modello 3D interattivo qui sopra permette di visualizzare la disposizione spaziale degli atomi — puoi ruotarlo con il mouse, zoomare con la rotellina e passare tra le modalità di visualizzazione scheletro / Ball & Stick / Space Fill.

Dal punto di vista delle proprietà chimico-fisiche, il coefficiente di ripartizione logP = 1.7 (valore positivo, composto lipofilo), superficie polare PSA = 74.6 Å², 2 donatori e 4 accettori di legami a idrogeno. Questi parametri sono fondamentali per valutare la biodisponibilità e l'interazione con le biomolecole.

I dati chimici di questo composto provengono da PubChem (NIH NLM NCBI), uno dei più grandi database chimici al mondo. Tutte le informazioni sono aggiornate automaticamente e arricchite con le traduzioni delle indicazioni di pericolo GHS conformi al Regolamento CLP (CE 1272/2008). Il widget qui sopra può essere utilizzato per scopi educativi, di ricerca e commerciali.

Proprietà chimico-fisiche

Molecular formula	C₈H₆O₄
Masa molowa	166.13 g/mol
IUPAC	benzene-1,3-dicarboxylic acid
SMILES	`C1=CC(=CC(=C1)C(=O)O)C(=O)O`
InChIKey	`QQVIHTHCMHWDBS-UHFFFAOYSA-N`
logP (XLogP3)	1.7
PSA	74.6 Å²
HBD / HBA	2 / 4
PubChem CID	CID 8496 ↗

Letteratura scientifica

Related literature

15 articles · 13 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 Publication timeline (15 articles)

Bar height = number of articles per year. Hover dla szczegółów.

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Benzene-1,3-dicarboxylic acid 2,5-dimethylpyrrole derivatives as multiple inhibitors of bacterial Mur ligases (MurC-MurF).

et al. (2014)

Cytowania: 25Open AccessDOI ↗PubMed ↗PDF ↗

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Benzene-1,3-dicarboxylic acid–1,2-bis(4-pyridyl)ethene (1/1)

Dong Liu, Ni-Ya Li (2011) · Acta Crystallographica Section E

Open AccessDOI ↗PDF ↗

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Benzene-1,3-dicarboxylic acid–1,2-bis(4-pyridyl)ethene (1/1)

Ni-Ya Li, Dong Liu (2011) · International Union of Crystallography

Open AccessDOI ↗PDF ↗

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A highly sensitive octopus-like azobenzene fluorescent probe for determination of abamectin B1 in apples

Zhenlong Guo, YiFei Su, Kexin Li et al. (2021) · Scientific Reports

Cytowania: 8Open AccessDOI ↗PDF ↗

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Coordination Polymers Constructed from Semi-Rigid <i>N,N</i>′-Bis(3-pyridyl)terephthalamide and Dicarboxylic Acids: Effect of Ligand Isomerism, Flexibility, and Identity

Chia-Jou Chen, Chia-Ling Chen, Yu-Hsiang Liu et al. (2020) · Chemistry

Cytowania: 6Open AccessDOI ↗PDF ↗

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Controlled bottom-up synthesis and characterization of crystalline and amorphous lead(II) coordination polymers: Sonochemical methods, structure–property relationship, and photocatalytic applications

Saeedeh Ebad Sichani, Mohammad Jaafar Soltanianfard, Alison Zamanpour et al. (2025) · Ultrasonics Sonochemistry

Cytowania: 2Open AccessDOI ↗PDF ↗

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(Benzene-1,3-dicarboxyl-ato-κO,O)(1,12,15,26-tetra-aza-5,8,19,22-tetra-oxa-3,4:9,10:17,18:23,24-tetra-benzocyclo-octa-cosane-κN,N,N,N)cadmium(II) benzene-1,3-dicarboxylic acid solvate.

(2008)

Cytowania: 1Open AccessDOI ↗PubMed ↗PDF ↗

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5-[(1H-Benzimidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid

Xiao-Chun Cheng (2011) · Acta Crystallographica Section E

Cytowania: 1Open AccessDOI ↗PDF ↗

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(Benzene-1,3-dicarboxylato-κ2O1,O1′)(1,12,15,26-tetraaza-5,8,19,22-tetraoxa-3,4:9,10:17,18:23,24-tetrabenzocyclooctacosane-κ4N1,N12,N15,N26)cadmium(II) benzene-1,3-dicarboxylic acid solvate

Zhi-Fang Jia, Jian-Fang Ma, Lai-Ping Zhang (2008) · Acta Crystallographica Section E

Cytowania: 1Open AccessDOI ↗PDF ↗

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5-[(1H-Benzimidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid

Xiao-Chun Cheng (2011) · International Union of Crystallography

Open AccessDOI ↗PDF ↗

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A coordination polymer of CdII with benzene-1,3-dicarboxylate and 1,4-bis[1-(2-pyridylmethyl)benzimidazol-2-yl]butane

Wei-Ping Zhang, Wen-Xiu Zhao, Gui-Hua Cui et al. (2009) · Acta Crystallographica Section E

Cytowania: 1Open AccessDOI ↗PDF ↗

Design and structural analysis of aromatic inhibitors of type II dehydroquinate dehydratase from Mycobacterium tuberculosis - compound 49e [5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid]

M.V.B. Dias, N.G. Howard, T.L. Blundell et al. (2014)

$ PaywallDOI ↗

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Poly[[(μ2-benzene-1,3-dicarboxylato){μ2-1,4-bis[(1H-imidazol-1-yl)methyl]benzene}cadmium] dimethylformamide monosolvate]

Yan Chen, Daguang Wang, Liang He et al. (2013) · Acta Crystallographica Section E

Open AccessDOI ↗PDF ↗

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A coordination polymer of CdII with benzene-1,3-dicarboxylate and 1,4-bis[1-(2-pyridylmethyl)benzimidazol-2-yl]butane

Wei-Ping Zhang, Gui-Hua Cui, Shun-Fu Dong et al. (2009) · International Union of Crystallography

Open AccessDOI ↗PDF ↗

Consequences of Partial Flexibility in 1,3-Benzenedicarboxylate Linkers: Kagomé Lattice and NbO Supramolecular Isomers from Complexation of a Bulky 1,3-Benzenedicarboxylate to Cu(II) Paddlewheel Moieties

Lukasz Wojtas (1303443), Zhenjie Zhang (530750), Michael J. Zaworotko (1298718) (2016)

$ PaywallDOI ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Sinonimi

ISOPHTHALIC ACID · 121-91-5 · Benzene-1,3-dicarboxylic acid · 1,3-Benzenedicarboxylic acid · m-Phthalic acid · m-Benzenedicarboxylic acid · Acide isophtalique · Kyselina isoftalova · X35216H9FJ · NSC-15310 · DTXCID301485 · CHEBI:30802 · benzene-1,3-dicarboxylate;hydron · RefChem:7642 · 204-506-4

Fonti dei dati

📊 PubChem CID 8496 — NIH
🔬 NIST WebBook — spektroskopia
🌐 Wikidata
💊 ChEMBL — bioaktywność

Molecole correlate

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