3-Nitrobenzoic acid
3-Nitrobenzoic acid
CAS: 121-92-6
Molecular Formula: C7H5NO4
3-Nitrobenzoic acid - Names and Identifiers
| Name | 3-Nitrobenzoic acid |
| Synonyms | MNBA 3-nitrobenzoic 3-nitrobenzoate M-NITROBENZOIC ACID 3-Nitrobenzoic acid m-Nitrobenzoic acid 3-NITROBENZOIC ACID RARECHEM AL BO 0229 3-NITRODRACYLIC ACID NITROBENZOIC(3-) ACID LABOTEST-BB LT00795102 sodium 3-nitrobenzoate 3-NITROPHENYL METHANOIC ACID |
| CAS | 121-92-6 |
| EINECS | 204-508-5 |
| InChI | InChI=1/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)/p-1 |
| InChIKey | AFPHTEQTJZKQAQ-UHFFFAOYSA-N |
3-Nitrobenzoic acid - Physico-chemical Properties
| Molecular Formula | C7H5NO4 |
| Molar Mass | 167.12 |
| Density | 1,494 g/cm3 |
| Melting Point | 139-141°C(lit.) |
| Boling Point | 295.67°C (rough estimate) |
| Flash Point | 190°C |
| Water Solubility | <0.01 g/100 mL at 18 ºC |
| Solubility | Slightly soluble in water, soluble in ethanol and ether. |
| Vapor Presure | 3.26E-05mmHg at 25°C |
| Vapor Density | 5.76 (vs air) |
| Appearance | Light yellow white crystal |
| Color | Slightly green to light yellow |
| Merck | 14,6588 |
| BRN | 908644 |
| pKa | 3.47(at 25℃) |
| PH | 3 (5g/l, H2O, 20℃)(aqueous suspension) |
| Storage Condition | no restrictions. |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Sensitive | Easily absorbing moisture |
| Refractive Index | 1.6280 (estimate) |
| MDL | MFCD00007251 |
| Physical and Chemical Properties | Melting point 140-142°C water-soluble <0.01g/100 mL at 18°C |
| Use | Used as photosensitive materials and pharmaceutical intermediates |
3-Nitrobenzoic acid - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37 - Irritating to eyes and respiratory system. R33 - Danger of cumulative effects R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| RTECS | DH5000000 |
| TSCA | Yes |
| HS Code | 29163900 |
| Hazard Note | Irritant |
3-Nitrobenzoic acid - Upstream Downstream Industry
| Raw Materials | Benzoic acid Benzoic acid |
| Downstream Products | 3-Dimethylaminobenzoic acid |
3-Nitrobenzoic acid - Introduction
It's irritating.
Last Update：2022-10-16 17:12:44
3-Nitrobenzoic acid - Reference Information
| Uses | m-nitrobenzoic acid is a reagent used for coupling allyl acetate to allyl, aliphatic and benzyl alcohol. It is also used as a chemical attractant against Pseudomonas strains. This product is an intermediate of photosensitive materials, functional pigments, and drugs. Used in the pharmaceutical industry to produce choledoin acid, acetate, etc. used as photosensitive materials and pharmaceutical intermediates used as reagents for the determination of alkaloids, etc. new antiepileptic drugs m-nitrobenzoic acid is mainly used for the synthesis of angiogenic influence drugs-choledoxic acid, etc. It is a widely used pharmaceutical and dye intermediates. metal ion precipitant. Used for the determination of alkaloids and metal thorium. Standard for determination of carbon, hydrogen and nitrogen by organic microanalysis. Intermediate preparation. |
| chemical properties | white is slightly yellow monoclinic leaf-like crystals. Melting point 142 ℃, relative density 1.494(20/4 ℃). Soluble in acetone, chloroform, ethanol and ether, slightly soluble in benzene, water, carbon disulfide and petroleum ether, more soluble in hot water. It stinks of almonds. |
| production method | benzoic acid is used as raw material in industry, and sodium nitrate is nitrated in the presence of sulfuric acid, and the yield can reach 60%. If benzoyl is esterified with methanol in the presence of sulfuric acid to methyl benzoate, then nitrated with mixed acid, and then hydrolyzed, it is a little troublesome to produce with this method, but the yield can be close to 70%. It can also be obtained by direct nitrification of mixed acid. The yield is about 60%. |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| spontaneous combustion temperature | 490°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:32:00
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Raw Materials for 3-Nitrobenzoic acid
Downstream Products for 3-Nitrobenzoic acid