4-Methylphthalic acid

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
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
180.04225873 g/mol
Monoisotopic Mass
180.04225873 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
224
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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
The molarity calculator equation

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

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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