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Basic Information
| CAS No.: | 99-31-0 |
|---|---|
| Name: | 5-Aminoisophthalic acid |
| Article Data: | 20 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C8H7NO4 |
| Molecular Weight: | 181.148 |
| Synonyms: | 1,3-Benzenedicarboxylic acid, 5-amino-;Isophthalic acid, 5-amino-;5-aminobenzene-1,3-dicarboxylic acid;Isophthalic acid, 5-amino- (8CI);5-aminobenzene-1,3-dicarboxylate;5-Amino isophthalic acid;5-Aminoisophthalicacid; |
| EINECS: | 202-748-5 |
| Density: | 1.551 g/cm3 |
| Melting Point: | >300 °C(lit.) |
| Boiling Point: | 514.9 °C at 760 mmHg |
| Flash Point: | 265.2 °C |
| Solubility: | insoluble in water |
| Appearance: | Off-white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 100.62000 |
| LogP: | 1.24640 |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In methanol at 20℃; under 760 Torr; for 1h; | 95% |
| Stage #1: 5-nitrobenzene-1,3-dicarboxylic acid With sodium hydroxide In water for 1h; Stage #2: With hydrazine hydrate In water at 30 - 35℃; for 1h; Concentration; Temperature; | 95% |
| With hydrogenchloride; tin |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| With sodium hydroxide; nitrogen; hydrogen; palladium-carbon In water | |
| With sodium hydroxide; nitrogen; hydrogen; palladium-carbon In water | |
| With sodium hydroxide; nitrogen; hydrogen; palladium-carbon In water |
Conditions
| Conditions | Yield |
|---|---|
| Heating; |
Conditions
| Conditions | Yield |
|---|---|
| With sulfuryl dichloride at 0℃; for 5h; Reflux; | 100% |
| With thionyl chloride In ethanol at 0 - 85℃; for 5h; | 98% |
| With thionyl chloride at 0℃; Inert atmosphere; Reflux; | 97% |
Conditions
| Conditions | Yield |
|---|---|
| With potassium hydrogensulfate In 1,4-dioxane; water; ethyl acetate | 100% |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| With potassium hydrogensulfate In 1,4-dioxane; water; ethyl acetate | 100% |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: 4-bromophthalic anhydride; 5-aminoisophthalic acid In N,N-dimethyl acetamide at 60 - 100℃; for 1h; Stage #2: With pyridine; acetic anhydride In N,N-dimethyl acetamide for 2h; | 100% |
Conditions
| Conditions | Yield |
|---|---|
| In ethanol; water at 20℃; for 48.5h; Temperature; High pressure; Autoclave; | 98.5% |
...Expand
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5-Aminoisophthalic acid
Chemistry
Molecular Formula: C8H7NO4
Molecular Weight: 181.15
EINECS: 202-748-5
Melting point: >300 °C(lit.)
Boiling Point: 515°C
Water Solubility: Insoluble
Appearance: Beige powder.
5-Aminoisophthalic acid(99-31-0)'s Synonyms: 5-amino-3-benzenedicarboxylicacid;AMINOISOPHTHALIC(5-) ACID;5-AMINO-1,3-ISOPHTHALIC ACID;5-AMINO-1,3-BENZENEDICARBOXYLIC ACID;5-AMINOISOPHTHALIC;5-AMINOISOPHTHALIC ACID;5-AMINOISOPHTHALIC ACID HYDRATE;5-AIPA
5-Aminoisophthalic acid(99-31-0)'s structural formula:
Molecular Weight: 181.15
EINECS: 202-748-5
Melting point: >300 °C(lit.)
Boiling Point: 515°C
Water Solubility: Insoluble
Appearance: Beige powder.
5-Aminoisophthalic acid(99-31-0)'s Synonyms: 5-amino-3-benzenedicarboxylicacid;AMINOISOPHTHALIC(5-) ACID;5-AMINO-1,3-ISOPHTHALIC ACID;5-AMINO-1,3-BENZENEDICARBOXYLIC ACID;5-AMINOISOPHTHALIC;5-AMINOISOPHTHALIC ACID;5-AMINOISOPHTHALIC ACID HYDRATE;5-AIPA
5-Aminoisophthalic acid(99-31-0)'s structural formula:
Uses
5-Aminoisophthalic acid(99-31-0) can be used as contrast agents and dye materials.
Production
With isophthalic acid as raw materials in sulfuric acid and nitric acid for nitration to generate 5 - nitro-isophthalic acid, and then in the presence of a catalyst, derived from high-pressure hydrogenation.
Specification
Hazards Identification for 5-Aminoisophthalic acid(99-31-0)
【Inhalation】Causes respiratory tract irritation.
【Skin】Causes skin irritation.
【Eyes】Causes eye irritation. May cause chemical conjunctivitis.
【Ingestion】May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
【EC Risk Phrase】R 36/37/38
【EC Safety Phrase】S 26 36
Stability and Reactivity 5-Aminoisophthalic acid(99-31-0)
【Disposal Code】4
【Incompatibilities】Oxidizing agents.
【Stability】Stable at room temperature in closed containers under normal storage and handling conditions.
【Decomposition】Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.