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99-31-0

Basic Information
CAS No.: 99-31-0
Name: 5-Aminoisophthalic acid
Article Data: 20
Molecular Structure:
Molecular Structure of 99-31-0 (5-Aminoisophthalic acid)
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: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-37/39
PSA: 100.62000
LogP: 1.24640
Synthetic route
618-88-2

5-nitrobenzene-1,3-dicarboxylic acid

99-31-0

5-aminoisophthalic acid

Conditions
ConditionsYield
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
618-88-2

5-nitrobenzene-1,3-dicarboxylic acid

Na2S2O4

Na2S2O4

99-31-0

5-aminoisophthalic acid

7647-01-0

hydrogenchloride

618-88-2

5-nitrobenzene-1,3-dicarboxylic acid

tin

tin

99-31-0

5-aminoisophthalic acid

618-88-2

5-nitrobenzene-1,3-dicarboxylic acid

7440-44-0

pyrographite

99-31-0

5-aminoisophthalic acid

Conditions
ConditionsYield
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

N,N'-bis(3,5-dicarboxylatophenyl)pyromelliticdiimide

A

89-05-4

1,2,4,5-benzenetetracarboxylic acid

B

99-31-0

5-aminoisophthalic acid

Conditions
ConditionsYield
Heating;
64-17-5

ethanol

99-31-0

5-aminoisophthalic acid

42122-73-6

diethyl 5-aminoisophthalate

Conditions
ConditionsYield
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%
(BOC)20

(BOC)20

99-31-0

5-aminoisophthalic acid

497-19-8

sodium carbonate

5-tert-butyloxycarbamyl-benzene-1,3-dicarboxylic acid

Conditions
ConditionsYield
With potassium hydrogensulfate In 1,4-dioxane; water; ethyl acetate100%
(Boc)2 O

(Boc)2 O

99-31-0

5-aminoisophthalic acid

497-19-8

sodium carbonate

5-tert-butyloxycarbamyl-benzene-1,3-dicarboxylic acid

Conditions
ConditionsYield
With potassium hydrogensulfate In 1,4-dioxane; water; ethyl acetate100%
86-90-8

4-bromophthalic anhydride

99-31-0

5-aminoisophthalic acid

C16H8BrNO6

Conditions
ConditionsYield
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%

lanthanide(III)chloride heptahydrate

99-31-0

5-aminoisophthalic acid

68-12-2, 33513-42-7

N,N-dimethyl-formamide

95-54-5

1,2-diamino-benzene

La(3+)*C6H8N2*2H2O*2C3H7NO*2Cl(1-)*C8H6NO4(1-)

Conditions
ConditionsYield
In ethanol; water at 20℃; for 48.5h; Temperature; High pressure; Autoclave;98.5%
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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:

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.