2-Nitrobenzoic acid 552-16-9

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2-Nitrobenzoic acid Basic information Product Name: 2-Nitrobenzoic acid Synonyms: 2-NITRODRACYLIC ACID;RARECHEM AL BO 0202;O-NITROBENZOIC ACID;OTAVA-BB BB0125160260;O-NITROBENZOIC ACID APPROX. 95%;2-Nitrobenzoicacid,95%;2-nitrobenzoic;2-nitro-benzoicaci CAS: 552-16-9 MF: C7H5NO4 MW: 167.12 EINECS: 209-004-9 Product Categories: Pharmaceutical Intermediates;Pyridines;Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Biochemistry;Reagents for Oligosaccharide Synthesis;C7;Carbonyl Compounds;Carboxylic Acids;Organic Building Blocks;carboxylic acid| nitro-compound Mol File: 552-16-9.mol 2-Nitrobenzoic acid Chemical Properties Melting point  146-148 °C(lit.) Boiling point  295.67°C (rough estimate) density  1,58 g/cm3 refractive index  1.6280 (estimate) storage temp.  Sealed in dry,Room Temperature solubility  7.8g/l pka 2.16(at 18℃) form  Fine Powder color  Off-white Specific Gravity 1.58 Water Solubility  6.8 g/L Merck  14,6588 BRN  1910632 Stability: Stable. Incompatible with strong oxidizing agents, strong bases. CAS DataBase Reference 552-16-9(CAS DataBase Reference) NIST Chemistry Reference Benzoic acid, 2-nitro-(552-16-9) EPA Substance Registry System o-Nitrobenzoic acid (552-16-9) Safety Information Hazard Codes  Xi,Xn Risk Statements  36/37/38-68-22 Safety Statements  26-36/37/39 WGK Germany  3 RTECS  DH5050000 TSCA  Yes HS Code  29163900 MSDS Information 2-Nitrobenzoic acid Usage And Synthesis Chemical Properties off-white powder Uses NH2-protecting reagent. Uses 2-Nitrobenzoic Acid is used as a reagent in the synthesis of several organic compounds including that of novel triazoles and a tetrazole of escitalopram which act as cholinesterase inhibitors. It is also used in the one pot synthesis of 1,4-disubstituted 1,2,3-triazoles. Definition ChEBI: A nitrobenzoic acid carrying the nitro substituent at position 2. Synthesis Reference(s) The Journal of Organic Chemistry, 56, p. 5924, 1991 DOI: 10.1021/jo00020a040 Tetrahedron Letters, 35, p. 219, 1994 DOI: 10.1016/S0040-4039(00)76515-4 General Description Yellowish white crystals with an intensely sweet taste. Air & Water Reactions Insoluble in water. Reactivity Profile 2-Nitrobenzoic acid is incompatible with strong oxidizing agents. Also incompatible with strong bases. May react with cyanides . Health Hazard ACUTE/CHRONIC HAZARDS: When 2-Nitrobenzoic acid is heated to decomposition it emits very toxic fumes. Fire Hazard Flash point data concerning 2-Nitrobenzoic acid are not available, however, 2-Nitrobenzoic acid is probably combustible. Purification Methods Crystallise the acid from *benzene (twice), n-butyl ether (twice), then water (twice). Dry and store it in a vacuum desiccator. [Le Noble & Wheland J Am Chem Soc 80 5397 1958.] It has also been crystallised from EtOH/H2O. The amide has m 176.5o (from H2O). [Beilstein 9 III 1466, 9 IV 1046.] 2-Nitrobenzoic acid Preparation Products And Raw materials Raw materials 2-Nitrotoluene Preparation Products Methyl anthranilate-->Fomesafen-->2-Nitrobenzoyl chloride-->Benzoic acid, 2-nitro-, 1,1'-anhydride-->N-(2-AMINO-4-CHLOROPHENYL)ANTHRANILIC ACID-->1,2-DIHYDRO-4-HYDROXY-2-OXO-3-QUINOLINECARBOXYLIC ACID ETHYL ESTER-->2-NITROPHENYL ISOCYANATE-->4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID-->METHYL 2-NITROBENZOATE-->2,5-diaminobenzoic acid-->2,2'-DINITRODIBENZYL-->4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID

First aid measures

General advice Consult a physician. Show this material safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

Firefighting measures

Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides Nitrogen oxides (NOx) Advice for firefighters Wear self-contained breathing apparatus for firefighting if necessary.



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