CAS No.5434-20-8,3-AMINOPHTHALIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5434-20-8
Name:	3-AMINOPHTHALIC ACID
Article Data:	56

Formula:	C₈H₇NO₄
Molecular Weight:	181.148
Synonyms:	3-Amino-1,2-benzenedicarboxylic acid;3-Aminobenzene-1,2-dicarboxylic acid;
EINECS:	226-595-9
Density:	1.551 g/cm³
Melting Point:	180-185 °C(lit.)
Boiling Point:	436.4 °C at 760 mmHg
Flash Point:	217.7 °C
Appearance:	Yellow crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	100.62000
LogP:	1.24640

Synthetic route

: 603-11-2
3-nitrophthalic acid

: 5434-20-8
3-aminophthalic acid

Conditions

Conditions	Yield
With hydrogen; Pd in AV-17-8-Pd In ethanol at 40℃;	97%
With hydrogen; Pd in AV-17-8-Pd In ethanol at 40℃; under 760 Torr; Rate constant;	97%
With hydrogen; palladium-containing anion exchanger AB-17-8-Pd In ethanol at 20 - 40℃; under 750.06 Torr; Kinetics; Product distribution; Further Variations:; Catalysts;	97%

: 34529-06-1
dimethyl 3-aminophthalate

: 5434-20-8
3-aminophthalic acid

Conditions

Conditions	Yield
With sodium hydroxide In methanol for 2h; Reflux;	81%

: 641-70-3
3-nitrophthalic acid anhydride

: 5434-20-8
3-aminophthalic acid

Conditions

Conditions	Yield
With hydrogenchloride; tin(ll) chloride
Multi-step reaction with 5 steps 1: 16 h / Reflux 2: thionyl chloride / 8 h / 40 °C 3: 2 h / Reflux 4: hydrogen; palladium on activated charcoal / methanol / 2 h / 20 °C 5: sodium hydroxide / methanol / 2 h / Reflux View Scheme

: 4389-50-8
2-amino-6-methylbenzoic acid

: 5434-20-8
3-aminophthalic acid

Conditions

Conditions	Yield
With sodium acetate; acetic anhydride nachfolgend Oxydation mit Permanganat in alkalischer Loesung und Verseifen des Reaktionsproduktes;

: 603-11-2
3-nitrophthalic acid

: iron(II) sulfate

aqueous barium hydroxide: aqueous barium hydroxide

: 5434-20-8
3-aminophthalic acid

...Expand

: 603-11-2
3-nitrophthalic acid

sodium sulfide: sodium sulfide

: 5434-20-8
3-aminophthalic acid

: 7647-01-0
hydrogenchloride

: 603-11-2
3-nitrophthalic acid

tin dichloride: tin dichloride

: 5434-20-8
3-aminophthalic acid

...Expand

: 7647-01-0
hydrogenchloride

: 603-11-2
3-nitrophthalic acid

tin: tin

: 5434-20-8
3-aminophthalic acid

...Expand

: 603-11-2
3-nitrophthalic acid

: 64-19-7
acetic acid

zinc dust: zinc dust

: 5434-20-8
3-aminophthalic acid

...Expand

: 85-44-9
phthalic anhydride

: 5434-20-8
3-aminophthalic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: durch Nitrierung 2: tin; hydrochloric acid / 20 °C View Scheme
Multi-step reaction with 2 steps 1: durch Nitrierung 2: tin (II)-chloride; hydrochloric acid / 22 °C View Scheme
Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid 2: iron(II) sulfate; ammonia View Scheme

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Specification

The 1,2-Benzenedicarboxylicacid, 3-amino-, with the CAS registry number 5434-20-8, is also known as 3-Amino-1,2-benzenedicarboxylic acid and 3-Aminobenzene-1,2-dicarboxylic acid. It belongs to the product categories of Phthalic Acids, Esters and Derivatives; Aromatic Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. Its EINECS registry number is 226-595-9. This chemical's molecular formula is C₈H₇NO₄ and molecular weight is 181.15. What's more, its IUPAC name is called 3-Aminophthalic acid.

Physical properties about this chemical are: (1)ACD/LogP: 0.30; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.14; (4)ACD/LogD (pH 7.4): -3.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 44.34 cm³; (15)Molar Volume: 116.7 cm³; (16)Surface Tension: 87.7 dyne/cm; (17)Density: 1.551 g/cm³; (18)Flash Point: 217.7 °C; (19)Enthalpy of Vaporization: 73.03 kJ/mol; (20)Boiling Point: 436.4 °C at 760 mmHg; (21)Vapour Pressure: 2.17E-08 mmHg at 25 °C; (22)Melting Point: 180-185 °C.

Preparation of 1,2-Benzenedicarboxylicacid, 3-amino-: this chemical can be prepared by 3-Nitro-phthalic acid.

This reaction needs reagent H₂ and solvent Ethanol at temperature of 40 °C. The yield is 97%.

Uses of 1,2-Benzenedicarboxylicacid, 3-amino-: it is used to produce other chemicals. For example, it is used to produce 4-Amino-2-(2-diethylamino-ethyl)-isoindole-1,3-dione.

This reaction will occur at temperature of 170 °C for 1 hour. The yield is 92%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c(cccc1N)C(=O)O
(2) InChI: InChI=1/C8H7NO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
(3) InChIKey: WGLQHUKCXBXUDV-UHFFFAOYAG