2,5-Diaminoterephthalic acid

Basic Information

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CAS Number

945-30-2

Molecular Formula

C8H8N2O4

Molecular Weight

196.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

>300 °C

SMILES

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C1=C(C(=CC(=C1N)C(=O)O)N)C(=O)O

InChI

InChI=1S/C8H8N2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,9-10H2,(H,11,12)(H,13,14)

InChIKey

WIOZZYWDYUOMAY-UHFFFAOYSA-N

LogP

0.24740000000000034

Topological Polar Surface Area

126.64 Å²

Hydrogen Bond Donor/Acceptor

6 / 6

Complexity

230

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2,5-Diaminoterephthalic acid
1,4-Benzenedicarboxylic acid, 2,5-diamino-
2,5-diamino-1,4-Benzenedicarboxylic acid
2,5-diaminobenzene-1,4-dicarboxylic acid
2,5-diamino-terephthalic acid
2,5-Diaminoterephthalsaeure
H2DATA
2,5-DIAMINOTEREPHTHALICACID
BAS 00439968
Cambridge id 5180162
Oprea1_216725
Oprea1_205111
CBDivE_006536
2,5-bis(azaniumyl)terephthalate
FCH835597
STK036387
ML01047
AX8221961
ST50229678
2,5-Diamino-1,4-benzenedicarboxylic acid (ACI)
Terephthalic acid, 2,5-diamino- (6CI, 7CI, 8CI)
1,4-Diamino-2,5-benzenedicarboxylic acid
DATPA
945-30-2
AS-59320
2,5-diaminoterephthalic acid
AKOS000541081
SCHEMBL987442
YSWG208
CS-0110720
DTXSID20355701

MDL Number

MFCD00464161

Customs Code

2922499990

FAQ

What are the physical and chemical properties of 2,5-Diaminoterephthalic acid (CAS: 945-30-2)?

2,5-Diaminoterephthalic acid (2,5-DiA) is a white crystalline solid with a molecular weight of 196.16 g/mol. It has a solubility of approximately 0.25 g/L in water at 25°C. Chemically, it is highly reactive, particularly with carboxylic acids and amines.

How is 2,5-Diaminoterephthalic acid (CAS: 945-30-2) typically synthesized?

2,5-Diaminoterephthalic acid is typically synthesized via the amino-tungstic acid route, involving the reaction of tungstic acid with primary amines. This process yields the target compound with good selectivity and moderate to high yield.

What industries use 2,5-Diaminoterephthalic acid (CAS: 945-30-2)?

2,5-Diaminoterephthalic acid finds applications in the pharmaceutical and polymer industries. It is used as a raw material for the synthesis of various dyes, pharmaceuticals, and polyamides due to its unique chemical properties.

What precautions should be taken when handling 2,5-Diaminoterephthalic acid (CAS: 945-30-2)?

When handling 2,5-Diaminoterephthalic acid, it is essential to use personal protective equipment (PPE) such as gloves and goggles. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate methods and materials, and the substance should be stored in a cool, dry place away from direct sunlight. Refer to the safety data sheet (SDS) for detailed safety information.