5-Nitroisophthalic acid

Basic Information

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CAS Number

618-88-2

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

259-261 °C

Boiling Point

350.79°C (rough estimate)

Density

1.6342 (rough estimate)

Water Solubility

Soluble in water.1.5 g/L at 20°C

Refractive Index

1.5282 (estimate)

SMILES

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

InChI

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

InChIKey

NBDAHKQJXVLAID-UHFFFAOYSA-N

LogP

1.51440

Complexity

274

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

AKOS000283439
5-Nitrobenzene-1,3-dicarboxylic acid
CAS-618-88-2
E80888
EN300-136844
5-Nitroisophthalic acid, Vetec(TM) reagent grade, 98%
Tox21_300768
1-Nitrobenzene-3,5-dicarboxylic acid
5-nitroisophtalic acid
NCGC00248162-01
5-Nitro-1,3-benzenedicarboxylic acid
SCHEMBL232779
AMY21961
5-NITRO-M-PHTHALIC ACID
5-Nitroisophthalicacid
EINECS 210-568-3
DTXCID5021540
NS00001706
NSC66545
AS-11792
EC 210-568-3
618-88-2
DTXSID7041540
A8568
Z276653386
N0520
1,3-Benzenedicarboxylic acid, 5-nitro-
5-nitroisopthalic acid
NSC 66545
Isophthalic acid, 5-nitro-
W-105085

MDL Number

MFCD00007254

FAQ

What is 5-Nitroisophthalic acid (CAS: 618-88-2)?

5-Nitroisophthalic acid is an organic compound with the chemical formula C8H6N2O5. It is a substituted aromatic dicarboxylic acid, characterized by its nitro group and two carboxylic acid groups. This compound is known for its strong acidity and is commonly used in chemical synthesis due to its reactivity and functional group versatility.

What are the main uses of 5-Nitroisophthalic acid (CAS: 618-88-2)?

5-Nitroisophthalic acid is primarily used in the synthesis of pharmaceuticals, dyes, and specialty chemicals. It serves as an intermediate in the production of various compounds, including certain drugs and agrochemicals. Its applications also extend to research and industrial processes where its chemical properties are leveraged for further functionalization and development.

Is 5-Nitroisophthalic acid (CAS: 618-88-2) safe?

5-Nitroisophthalic acid is generally considered safe when handled properly. However, it can be harmful if inhaled, ingested, or comes into contact with skin or eyes. Precautions include wearing protective gloves, goggles, and a lab coat, and ensuring proper ventilation. It is important to follow safety standards and guidelines to minimize exposure and risk.

How should 5-Nitroisophthalic acid (CAS: 618-88-2) be stored?

5-Nitroisophthalic acid should be stored in a cool, dry, and well-ventilated area, away from light. It is typically kept in sealed containers to prevent moisture absorption and maintain chemical stability. Storage should be in a place that is not accessible to children and should comply with hazardous material regulations for safe handling and preservation.