ChemicalBook--->CAS DataBase List--->6946-22-1

6946-22-1

6946-22-1 Structure

6946-22-1 Structure
IdentificationMore
[Name]

3-AMINOPHTHALIC ACID HYDROCHLORIDE
[CAS]

6946-22-1
[Synonyms]

3-AMINO-1,2-BENZENEDICARBOXYLIC ACID HYDROCHLORIDE
3-AMINOPHTHALIC ACID HYDROCHLORIDE
2-benzenedicarboxylicacid,3-amino-hydrochloride
3-Aminophthalic acid HCL
3-AminophthalicacidHClhydrate
3-Aminophthalicacidhydrochloridelhydrate
3-AMINOPHTHALIC ACID HYDROCHLORIDE 1-HYDRATE
3-aminobenzene-1,2-dicarboxylic acid hydrochloride
3-AMINOPHTHALIC ACID HYDROCHLORIDE 98%
[EINECS(EC#)]

230-106-4
[Molecular Formula]

C8H8ClNO4
[MDL Number]

MFCD00017644
[Molecular Weight]

217.61
[MOL File]

6946-22-1.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to yellow-beige crystalline powder
[Melting point ]

182 °C
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Very Slightly)
[form ]

Crystalline Powder
[color ]

Off-white to yellow-beige
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C8H7NO4.ClH/c9-5-3-1-2-4(7(10)11)6(5)8(12)13;/h1-3H,9H2,(H,10,11)(H,12,13);1H
[InChIKey]

ZBZAVEORKXFUQB-UHFFFAOYSA-N
[SMILES]

C1(C(=O)O)C(N)=CC=CC=1C(=O)O.Cl
[CAS DataBase Reference]

6946-22-1(CAS DataBase Reference)
[EPA Substance Registry System]

1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (6946-22-1)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[TSCA ]

Yes
[HS Code ]

29242998
Hazard InformationBack Directory
[Chemical Properties]

off-white to yellow-beige crystalline powder
[Uses]

3-Aminophthalic Acid Hydrochloride is a reactant used in the preparation of local anesthetics.
[Synthesis]

3-Nitrophthalic acid

603-11-2

3-AMINOPHTHALIC ACID HYDROCHLORIDE

6946-22-1

The general procedure for the synthesis of 3-aminophthalic acid hydrochloride from 3-nitrophthalic acid was as follows: an ethanol solution (600 mL) of 3-nitrophthalic acid (100 g) and 10% Pd/C catalyst (3.2 g) was added to an autoclave. A hydrogen pressure of 4.0 kg was applied at 20-25 °C and the reaction was carried out for 3.0 hours. Upon completion of the reaction, the reaction mixture was cooled to 20 °C and filtered through a Hyflo bed. The filtrate was concentrated by distillation under reduced pressure and acetone was added to the residue. The mixture was cooled to 10 °C and concentrated hydrochloric acid was added slowly with continuous stirring. After removing the solvent under reduced pressure, acetonitrile was added. The mixture was again cooled to 10°C and the precipitated solid was filtered. Finally, the product was dried under vacuum at 45-50 °C for 6 h to give 3-aminophthalic acid hydrochloride (65.0 g).

[References]

[1] Patent: US5103057, 1992, A
[2] Patent: EP434145, 1991, A2
[3] Patent: WO2017/33116, 2017, A1. Location in patent: Paragraph 00114; 00132
[4] Patent: CN106986783, 2017, A. Location in patent: Paragraph 0008
Spectrum DetailBack Directory
[Spectrum Detail]

3-AMINOPHTHALIC ACID HYDROCHLORIDE(6946-22-1)1HNMR
3-AMINOPHTHALIC ACID HYDROCHLORIDE(6946-22-1)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Aminophthalic acid hydrochloride, 98%(6946-22-1)
[Alfa Aesar]

3-Aminophthalic acid hydrochloride dihydrate, 98%(6946-22-1)
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