Isophthalic acid - CAS 121-91-5
Catalog: |
BB005296 |
Product Name: |
Isophthalic acid |
CAS: |
121-91-5 |
Synonyms: |
benzene-1,3-dicarboxylic acid |
Application: |
Used to make plastics, unsaturated polyester resins, alkyd resins, polyamides, and thermoplastic polyesters; Used as a co-monomer with terephthalic acid to make plastic bottles and specialty resins; Used in formulations for adhesives, inks, wire enamels, and dental materials. |
IUPAC Name: | benzene-1,3-dicarboxylic acid |
Description: | Isophthalic acid (CAS# 121-91-5) is a useful reagent for preparing semiconductor sealing materials, prepregs, build-up films, solder resists, dry films, and printed wiring boards. |
Molecular Weight: | 166.13 |
Molecular Formula: | C8H6O4 |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)C(=O)O |
InChI: | InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12) |
InChI Key: | QQVIHTHCMHWDBS-UHFFFAOYSA-N |
Boiling Point: | 412.3 °C |
Melting Point: | 341-343 °C |
Flash Point: | 217.3°C |
Purity: | 85 % |
Density: | 1.54 g/cm3 |
Solubility: | 6.02e-04 M;Soluble in 8000 parts cold water, 460 parts boiling water; freely soluble in alcohol; practically insoluble in petroleum ether;In methanol: 4.0 g/100 g at 25 °C; in propanol: 1.7 g/100 g at 25 °C, 2.7 g/100 g at 50 °C; in glacial acetic acid: 0.23 g/100 g at 25 °C;Insoluble in benzene, ligroin and ether;Water solubility: 120 mg/L at 25 °C, 350 mg/L at 50 °C, 3200 mg/L at 100 °C;In water, 5400 mg/L at 14 °C (pH adjusted water for complete dissociation);Solubility in water: none in cold water, poor in boiling water |
Appearance: | White solid with a slight unpleasant odor. sinks in water. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
Decomposition: | When heated to decomposition it emits acrid smoke and fumes |
MDL: | MFCD00002516 |
LogP: | 1.08300 |
Refractive Index: | 1.5100 (estimate) |
Stability: | Stable. Incompatible with strong oxidizing agents, strong bases. |
Vapor Pressure: | 2.6X10-8 mm Hg at 25 °C(est) |
Precautionary Statement: | P264: Wash thoroughly after handling. P280: Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P337+P313: If eye irritation persists: Get medical advice/attention. |
Publication Number | Title | Priority Date |
US-10934384-B1 | Polyurethane elastomer compositions, and processes thereof | 20200909 |
US-10934385-B1 | Polyurethane elastomers, bio-additive foam compositions | 20200909 |
US-10968041-B1 | High cut/gouge and abrasion resistance conveyor belt cover | 20200619 |
US-11028329-B1 | Producing C6-C8 aromatics from FCC heavy naphtha | 20200410 |
US-10767004-B1 | Tricyclodecane dimethanol composition and uses thereof | 20200113 |
PMID | Publication Date | Title | Journal |
23643828 | 20130701 | The C1 domain-targeted isophthalate derivative HMI-1b11 promotes neurite outgrowth and GAP-43 expression through PKCα activation in SH-SY5Y cells | Pharmacological research |
22954382 | 20120925 | Role of substrate in directing the self-assembly of multicomponent supramolecular networks at the liquid-solid interface | ACS nano |
22810849 | 20120907 | ε-Keggin-based coordination networks: Synthesis, structure and application toward green synthesis of polyoxometalate@graphene hybrids | Dalton transactions (Cambridge, England : 2003) |
22777783 | 20120830 | Migrating components in a polyurethane laminating adhesive identified using gas chromatography/mass spectrometry | Rapid communications in mass spectrometry : RCM |
22864596 | 20120828 | Assembly and properties of transition-metal coordination polymers based on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on the dimensionality | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.02660867 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS