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
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 |
