2-Nitroterephthalic acid

Basic Information

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CAS Number

610-29-7

Molecular Formula

C8H5NO6

Molecular Weight

211.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

268-272 °C (dec.)

Boiling Point

454.8℃ at 760 mmHg

Density

1.6342 (rough estimate)

Refractive Index

1.5282 (estimate)

SMILES

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C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C8H5NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)

InChIKey

QUMITRDILMWWBC-UHFFFAOYSA-N

LogP

1.51440

Complexity

296

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

QGE3D3HH23
NSC 75848
Nitroterephthalic acid
F1565-0140
EU-0052494
EINECS 210-217-4
AKOS000120430
Terephthalic acid, nitro-
5-Nitroterephthalic acid
AS-17745
2-nitrobenzene-1,4-dicarboxylic acid
NSC-75848
2-Nitro-p-phthalic acid
1,4-Benzenedicarboxylic acid, 2-nitro-
2-Nitroterephthalic acid, >=99%
2-Nitroterephthalic acid
610-29-7
NS00034532
SY035578
A868825
2-nitroterephthalicacid
FT-0613222
N0272
EN300-18216
Oprea1_354265
InChI=1/C8H5NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13
DTXSID8060583
Nitroterephthalic acid, purum, >=99.0% (HPLC)
UPCMLD0ENAT5641084:001
MFCD00007141
Z57380016

MDL Number

MFCD00007141

Customs Code

2915900090

FAQ

What are the physical and chemical properties of 2-Nitroterephthalic acid (CAS: 610-29-7)?

2-Nitroterephthalic acid is a white crystalline solid with a molecular weight of approximately 194.07 g/mol. It has a pKa of about 2.8 and is slightly soluble in water. The compound is highly reactive due to its aromatic nitro group and carboxylic acid functionality. It is used in various chemical reactions and applications due to its reactivity and stability under certain conditions.

How is 2-Nitroterephthalic acid (CAS: 610-29-7) typically synthesized?

2-Nitroterephthalic acid is commonly synthesized by nitration of terephthalic acid. The process involves the addition of nitric acid and sulfuric acid in the presence of a catalyst like aluminum trichloride. The reaction is typically conducted at low temperatures to control side reactions and improve selectivity. The yield can be up to 90% with proper conditions.

What industries use 2-Nitroterephthalic acid (CAS: 610-29-7)?

2-Nitroterephthalic acid finds applications in several industries. It is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for the production of polyesters, and in the semiconductor industry for the preparation of electronic materials. Additionally, it is utilized in the development of sensors and as a building block in organic synthesis.

What precautions should be taken when handling 2-Nitroterephthalic acid (CAS: 610-29-7)?

Handling 2-Nitroterephthalic acid requires strict safety measures. Wear appropriate personal protective equipment (PPE) such as gloves, goggles, and laboratory coats. Work in a fume hood to minimize exposure to fumes. Spills should be handled with caution using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information and proper disposal methods.