Isophthalic acid
Isophthalic acid structure
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Common Name | Isophthalic acid | ||
|---|---|---|---|---|
| CAS Number | 121-91-5 | Molecular Weight | 166.131 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 412.3±28.0 °C at 760 mmHg | |
| Molecular Formula | C8H6O4 | Melting Point | 341-343 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 217.3±20.5 °C | |
Use of Isophthalic acidIsophthalic acid is an intermediate for high performance unsaturated polyesters, resins for coatings, high solids paints, gel coats and modifier of polyethylene terephthalate for bottles. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | isophthalic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 412.3±28.0 °C at 760 mmHg |
| Melting Point | 341-343 °C(lit.) |
| Molecular Formula | C8H6O4 |
| Molecular Weight | 166.131 |
| Flash Point | 217.3±20.5 °C |
| Exact Mass | 166.026611 |
| PSA | 74.60000 |
| LogP | 1.66 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.618 |
| InChIKey | QQVIHTHCMHWDBS-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cccc(C(=O)O)c1 |
| Stability | Stable. Incompatible with strong oxidizing agents, strong bases. |
| Water Solubility | 0.01 g/100 mL (25 ºC) |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S24/25-S36-S26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | NT2007000 |
| HS Code | 29173980 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:108-38-3
CAS#:99-04-7
CAS#:626-19-7
CAS#:95-63-6
CAS#:67-56-1
CAS#:201230-82-2
CAS#:108-36-1
CAS#:585-74-0
CAS#:108-70-3
CAS#:108-67-8
CAS#:328-70-1
CAS#:3770-82-9
CAS#:328-72-3
CAS#:3971-31-1
CAS#:14334-36-2
CAS#:4355-31-1
CAS#:1459-93-4
CAS#:51760-21-5
CAS#:379711-35-0
CAS#:379711-34-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2917391000 |
|---|---|
| Summary | 2917391000 isophthalic acid。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。Lowest tariff:6.5%。General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Tumor Repression of VCaP Xenografts by a Pyrrole-Imidazole Polyamide.
PLoS ONE 10 , e0143161, (2015) Pyrrole-imidazole (Py-Im) polyamides are high affinity DNA-binding small molecules that can inhibit protein-DNA interactions. In VCaP cells, a human prostate cancer cell line overexpressing both AR an... |
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A neutrophil intrinsic impairment affecting Rab27a and degranulation in cystic fibrosis is corrected by CFTR potentiator therapy.
Blood 124(7) , 999-1009, (2014) Studies have endeavored to reconcile whether dysfunction of neutrophils in people with cystic fibrosis (CF) is a result of the genetic defect or is secondary due to infection and inflammation. In this... |
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Regulatory volume increase in astrocytes exposed to hypertonic medium requires β1 -adrenergic Na(+) /K(+) -ATPase stimulation and glycogenolysis.
J. Neurosci. Res. 93(1) , 130-9, (2014) The cotransporter of Na(+) , K(+) , 2Cl(-) , and water, NKKC1, is activated under two conditions in the brain, exposure to highly elevated extracellular K(+) concentrations, causing astrocytic swellin... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-CARBOXAMINODOTRYPTAMINE |
| 5-CARBOXAMIDOTRYPTAMINE HEMIETHANOLATE MALEATE SALT |
| Isophthalic acid |
| iso-phthalic acid |
| benzene-1,3-dicarboxylic acid |
| MFCD00002516 |
| 1,3-Benzenedicarboxylic acid |
| EINECS 204-506-4 |
| 5-carboxamidotrypamine |
| 5-Carboxamidotryptamine |
| 2-Carboxyamidotryptamine |
| 5-carboxybenzoic acid |
| isophthalic_acid |
| 5-CT |
| 5-Carboxamide tryptamine |
| isophtalic acid |
| 5-Carboxyamidotryptamine |
| 1,3-benzene dicarboxylic acid |
| m-phthalic acid |
| Benzen-1,3-Dicarboxylic acid |
| hydrogen isophthalate |
| 5-CAT |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of isophthalic acid? |
| A: InChIKey of isophthalic acid is QQVIHTHCMHWDBS-UHFFFAOYSA-N. |
| Q: What is the LogP of isophthalic acid? |
| A: LogP of isophthalic acid is 1.66. |
| Q: What is the safety information for isophthalic acid? |
| A: Safety information for isophthalic acid: S24/25-S36-S26. |
| Q: How is the water solubility of isophthalic acid? |
| A: Water solubility of isophthalic acid: 0.01 g/100 mL (25 ºC). |
| Q: What are the uses of isophthalic acid? |
| A: Main uses of isophthalic acid: Isophthalic acid is an intermediate for high performance unsaturated polyesters, resins for coatings, high solids paints, gel coats and modifier of polyethylene terephthalate for bottles. |
| Q: What is the molecular weight of isophthalic acid? |
| A: Molecular weight of isophthalic acid is 166.131. |
| Q: What are the upstream materials of isophthalic acid? |
| A: Related upstream materials(CAS) of isophthalic acid: 108-38-3;99-04-7;626-19-7;95-63-6;67-56-1;201230-82-2;108-36-1;585-74-0;108-70-3;108-67-8. |
| Q: What are the downstream products of isophthalic acid? |
| A: Related downstream products(CAS) of isophthalic acid: 328-70-1;3770-82-9;328-72-3;3971-31-1;14334-36-2;4355-31-1;1459-93-4;51760-21-5;379711-35-0;379711-34-9. |
| Q: What is the English name of isophthalic acid? |
| A: The English name of isophthalic acid is isophthalic acid. |
| Q: What is the molecular formula of isophthalic acid? |
| A: Molecular formula of isophthalic acid is C8H6O4. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |