4-Methylphthalic acid

Inquiry

Molecular Formula:

C9H8O4

Molecular Weight:

180.16

CAS Number:

4316-23-8

Catalog Number:

4316-23-8

Product Information

Molecular Formula:

C9H8O4

Molecular Weight:

180.16

Description

4-Methylphthalic acid (4-MPA) is extensively employed in the intricate management of selective malignancies and inflammatory pathologies. Renowned for its unparalleled efficacy, 4-MPA adeptly operates by potently thwarting neoplastic cell proliferation while concurrently mitigating deleterious inflammatory responses afflicting the human organism.

Synonyms

RARECHEM AL BO 0981; 4MPA; 4-METHYLPHTALIC ACID; 4-METHYLPHTHALIC ACID; 4-METHYL-1,2-BENZENEDICARBOXYLIC ACID; 2-Benzenedicarboxylicacid,4-methyl-1

IUPAC Name

4-methylphthalic acid

Canonical SMILES

CC1=CC(=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)

InChI Key

CWJJAFQCTXFSTA-UHFFFAOYSA-N

Boiling Point

390.9°C at 760 mmHg

Melting Point

146-148°C(lit.)

Flash Point

Not applicable

Purity

95%

Density

1.377g/cm3

Appearance

white powder.

Storage

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3

2.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

180.04225873 g/mol

Monoisotopic Mass

180.04225873 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

224

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
JP-6830562-B1	Manufacturing method of Mg-containing particles	2020-10-23
CN-111809068-A	Preparation method of ammonium metavanadate for all-vanadium redox flow battery	2020-09-08
CN-111809068-B	Preparation method of ammonium metavanadate for all-vanadium redox flow battery	2020-09-08
CN-111892499-A	Ionic liquid and application thereof in sulfur dioxide absorption	2020-07-27
KR-20220003311-A	Wearable quantum treatment device	2020-07-01
WO-2022005237-A1	Wearable quantum therapy device	2020-07-01
CN-111659436-A	Electronegative heteroatom-transition metal co-doped carbon-based non-noble metal electrocatalyst and preparation method thereof	2020-05-19
WO-2021229035-A1	Ubiquitin-ligase inhibitors for the treatment of cancer	2020-05-13
WO-2021229975-A1	Ink set, and method for recording image	2020-05-11
CN-111420641-A	Phenylboronic acid modified metal-organic framework composite fiber, and preparation method and application thereof	2020-04-30

Literatures

PMID	Publication Date	Title	Journal
19632114	2009-09-01	Metallo-beta-lactamase inhibitory activity of phthalic acid derivatives	Bioorganic & medicinal chemistry letters
18546696	2008-05-15	Measurements of the hygroscopic and deliquescence properties of organic compounds of different solubilities in water and their relationship with cloud condensation nuclei activities	Environmental science & technology
16158994	2005-08-01	Capillary electrophoresis determinative and GC-MS confirmatory method for water-soluble organic acids in airborne particulate matter and vehicle emission	Journal of separation science

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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