mono-Methyl isophthalate - CAS 1877-71-0
Catalog: |
BB014442 |
Product Name: |
mono-Methyl isophthalate |
CAS: |
1877-71-0 |
Synonyms: |
3-methoxycarbonylbenzoic acid |
IUPAC Name: | 3-methoxycarbonylbenzoic acid |
Description: | mono-Methyl isophthalate (CAS# 1877-71-0) is used as a reagent in the synthesis of small molecule inhibitors targeting lens epithelium-derived growth factor, inhibiting its interaction with HIV infected human T-cells. |
Molecular Weight: | 180.16 |
Molecular Formula: | C9H8O4 |
Canonical SMILES: | COC(=O)C1=CC=CC(=C1)C(=O)O |
InChI: | InChI=1S/C9H8O4/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h2-5H,1H3,(H,10,11) |
InChI Key: | WMZNGTSLFSJHMZ-UHFFFAOYSA-N |
Boiling Point: | 339.3 °C at 760 mmHg |
Density: | 1.288 g/cm3 |
MDL: | MFCD00029972 |
LogP: | 1.17140 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113461636-A | Benzothiazole-containing phenylalanine derivative and preparation method and application thereof | 20210604 |
CN-111254457-A | Electrochemical synthesis method of aromatic carboxylic acid and alkyl carboxylic acid | 20200331 |
CN-111254457-B | Electrochemical synthesis method of aromatic carboxylic acid and alkyl carboxylic acid | 20200331 |
WO-2021193950-A1 | Carbodiimide composition, hardener composition, coating composition, and cured resin object | 20200327 |
CN-111763201-A | Benzothiazole compound and medical application thereof | 20200303 |
PMID | Publication Date | Title | Journal |
22222838 | 20120101 | Degradation of Phthalate Esters by Fusarium sp. DMT-5-3 and Trichosporon sp. DMI-5-1 Isolated from Mangrove Sediments | Progress in molecular and subcellular biology |
22482056 | 20120101 | The diversity of endophytic methylotrophic bacteria in an oil-contaminated and an oil-free mangrove ecosystem and their tolerance to heavy metals | Biotechnology research international |
21626443 | 20111101 | Comparison of initial hydrolysis of the three dimethyl phthalate esters (DMPEs) by a basidiomycetous yeast, Trichosporon DMI-5-1, from coastal sediment | Environmental science and pollution research international |
17258288 | 20070715 | Complete degradation of dimethyl isophthalate requires the biochemical cooperation between Klebsiella oxytoca Sc and Methylobacterium mesophilicum Sr Isolated from Wetland sediment | The Science of the total environment |
16312973 | 20050101 | Biochemical pathway and degradation of phthalate ester isomers by bacteria | Water science and technology : a journal of the International Association on Water Pollution Research |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.04225873 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS