Shandong Huashang Chemical Co., Ltd. is a high-tech enterprise specializing in the research and development, manufacturing, and sales of fine chemicals. Headquartered in Jinan, Shandong, China, we are committed to delivering high-quality products to our global partners. Currently, over 90% of our products are exported to developed markets, including North America, Europe, Japan, South Korea, and the Middle East.
Product Description
5-Nitroisophthalic acid (5-NIPA, CAS: 618-88-2) is a crucial fine chemical intermediate belonging to aromatic dicarboxylic acids. It features stable chemical properties under normal temperature and pressure, with a molecular structure containing nitro (-NO?) and two carboxyl (-COOH) groups substituted on the 1,3,5 positions of the benzene ring. This product is widely applied in pharmaceutical synthesis (such as X-ray contrast agents like new iothalamic acid) , dye intermediates (used to prepare 2,6-dicyano-4-nitroaniline for disperse dyes) , MOF coordination polymer materials, organic synthesis, and as raw materials for pesticides, playing an important role in the fine chemical industry. It also serves as an intermediate for PDE IV inhibitor-based pharmaceutical compounds like glycopyrrolate, which is used in the treatment of respiratory complaints .
Physical Properties
- Appearance: White to off-white crystalline powder, odorless; can also present as white leaf-like crystals
- Melting Point: 259-261 °C (literature value); some sources record 260-261 °C
- Density: 1.634 g/cm3 (estimated)
- Solubility: Soluble in hot water, ethanol and ether; slightly soluble in cold water, methanol and acetonitrile; sparingly soluble in DMSO; water solubility is 1.5 g/L at 20 °C
- Flash Point: 120 °C
- Vapor Pressure: 0 Pa at 25 ℃
- Refractive Index: 1.5282 (estimated)
Chemical Properties
- Molecular Formula: C?H?NO?
- Molecular Weight: 211.13
- CAS Number: 618-88-2 (confirmed, the core identifier of the product)
- EINECS: 210-568-3
- MDL Number: MFCD00007254
- Stability: Stable under normal temperature and pressure; incompatible with strong oxidants, strong acids and strong alkalis
- Chemical Type: Aromatic dicarboxylic acid, with nitro group (-NO?) and two carboxyl groups (-COOH) substituted on the benzene ring
- pKa: 2.81 ± 0.10 (predicted)
- LogP: 1.1 at 25 ℃
Synthesis Method
- Raw Materials: Isophthalic acid, fuming nitric acid, concentrated sulfuric acid (the core raw materials for nitration reaction)
- Reaction Principle: Nitration reaction of isophthalic acid, where the nitro group (-NO?) substitutes the 5-position of the benzene ring under the catalysis of concentrated sulfuric acid, forming 5-nitroisophthalic acid .
- Reaction Steps: 1. Add isophthalic acid to concentrated sulfuric acid, stir at 60-75 °C for 0.5 hours to fully dissolve; 2. Slowly drop 60% nitric acid into the reaction system, control the dropping speed to finish within 2-3.5 hours, and maintain stable temperature for nitration reaction; 3. After dropping, control the temperature at 60-90 ℃ and heat up gradually until the reaction ends, then distill off excess nitric acid under reduced pressure; 4. Cool the reaction solution to ≤50 ℃, add water for decomposition reaction, then cool to room temperature, filter to remove waste acid, wash the filter cake with clean water for 3 times and drain; 5. Add the washed filter cake to pure water, heat and stir until dissolved, filter while hot, cool for crystallization, filter again, and dry the solid to obtain the pure product of 5-Nitroisophthalic acid .
- Reaction Conditions: Controlled temperature, sufficient stirring, and proper reaction time to ensure product purity and yield; the improved process can reduce the dosage of sulfuric acid and nitric acid, reducing waste liquid generation .
Storage & Safety
- Storage: Sealed and stored in a cool, dry and well-ventilated warehouse; avoid direct sunlight, damp and high-temperature environment; shelf life is about 24 months; storage temperature is recommended to be room temperature .
- Package: 25kg fiber drum or woven bag, sealed packaging to prevent moisture, contamination and leakage .
- Safety: It is irritating to skin, eyes and respiratory tract (Hazard Statement: H319); avoid direct contact with skin and mucous membranes; wear protective gloves, goggles and mask during operation; follow Precautionary Statements: P264, P280, P305+P351+P338, P337+P313 .
- Hazard: Non-flammable and non-explosive; avoid mixing with strong oxidants, acids and alkalis to prevent chemical reactions; hazard codes: Xi, Xn; risk statements: 36/37/38-40; safety statements: 26-36-22 .
- HS Code: 29173990; WGK Germany: 3; TSCA: Listed .
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