951-97-3

Basic information

• Product Name: 2-ACETAMIDO-4-NITROBENZOIC ACID
• Synonyms: Anthranilic acid, N-acetyl-4-nitro- (8CI);Benzoic acid, 2-(acetylamino)-4-nitro-;EINECS 213-458-3;NSC 25215;NSC 49165;NSC 86569;NSC25215;NSC49165
• CAS NO: 951-97-3
• Molecular Formula: C₉H₈N₂O₅
• Molecular Weight: 224.17
• EINECS: 213-458-3
• Mol File: 951-97-3.mol
• Article Data: 4

Chemical Properties

• Melting Point: 214-215 °C
• Boiling Point: 488.7°Cat760mmHg
• Flash Point: 249.4°C
• Appearance: /
• Density: 1.526g/cm³
• Vapor Pressure: 2.3E-10mmHg at 25°C
• Refractive Index: 1.656
• Storage Temp.: 2-8°C
• PKA: 2.71±0.10(Predicted)
• CAS DataBase Reference: 2-ACETAMIDO-4-NITROBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ACETAMIDO-4-NITROBENZOIC ACID(951-97-3)
• EPA Substance Registry System: 2-ACETAMIDO-4-NITROBENZOIC ACID(951-97-3)

Safety Data

• Hazardous Substances Data: 951-97-3(Hazardous Substances Data)

Usage

Main properties

1. Molecular formula: C9H8N2O4
2. Appearance: Yellow crystalline solid
3. Usage: Commonly used in the synthesis of pharmaceuticals and dyes
4. Inhibitory properties: Inhibits the synthesis of folic acid
5. Potential applications: Development of antimicrobial drugs, anti-inflammatory, and analgesic properties
6. Safety precautions: Can cause skin, eye, and respiratory irritation if not handled properly

Appearance

Yellow crystalline solid

Usage

Synthesis of pharmaceuticals and dyes

Inhibitory properties

Inhibits folic acid synthesis

Potential applications

Antimicrobial drugs, anti-inflammatory, analgesic

Safety precautions

Handle with care to avoid skin, eye, and respiratory irritation.

InChI:InChI=1/C9H8N2O5/c1-5(12)10-8-4-6(11(15)16)2-3-7(8)9(13)14/h2-4H,1H3,(H,10,12)(H,13,14)

Upstream product

• 2879-79-0 N-(2-methyl-5-nitrophenyl)acetamide 
• 108-24-7 acetic anhydride 
• 619-17-0 4-Nitroanthranilic acid 
• 99-55-8 2-methyl-5-nitroaniline 
• 75-36-5 acetyl chloride 

Downstream Products

• 969-49-3 3-(3-chloro-phenyl)-2-methyl-7-nitro-3H-quinazolin-4-one 
• 1606159-04-9 C₁₅H₁₁N₃O₃S 
• 916137-31-0 3-benzyl-7-nitro-2-thioxo-2,3-dihydroquinazolin-4(1H)-one 
• 1606159-07-2 C₁₁H₁₁N₃O₂S 
• 916137-34-3 O₂NC₆H₃CON(CH₂C₆H₅)CSN(CH₃) 
• 1606159-14-1 C₁₂H₁₃N₃O₂S 
• 49565-62-0 2-(methylamino)-4-nitro-benzoic acid 
• 1606159-98-1 C₁₉H₁₈N₄O₄ 
• 1606159-24-3 C₁₉H₁₈N₄O₄ 
• 1606159-29-8 C₁₉H₁₈N₄O₄ 
• 49565-61-9 2-ethylamino-4-nitro-benzoic acid 
• 1606159-30-1 4-(benzyloxy)-2-morpholinoquinazolin-7-amine 
• 1606159-31-2 C₂₁H₂₂N₄O₃ 
• 186804-40-0 C₁₄H₁₀N₂O₄ 

Relevant articles and documents

Functionalization of quinazolin-4-ones part 1: Synthesis of novel 7-substituted-2-thioxo quinazolin-4-ones from 4-substituted-2-aminobenzoic acids and PPh3(SCN)2

4-(Nitro, amino, acetylamino)-2-aminobenzoic acid were allowed to react with PPh3(SCN)2 and gave the crossholding 7-nitro, 7-acetylamino- and 7-amino-2-thioxo quinazolin-4-ones respectively. The nature of the substituent at position 4 of the 2-aminobenzoic acids has significant influence on the outcome of the cyclisation reaction with PPh 3(SCN)2. Similarly, the nature of the substituent at position 7 of the 2-substituted quinazolin-4-ones significantly affected the ease with which alkylation reactions could be performed. The alkylation selectivity of the 7- substiuted-2-thioxo quinazolin-4-ones was found to depend on the nature of the alkyl halide and the nature of the substituent at position 2.

Preparation of Some Acetylated, Reduced and Oxidized Derivatives of 2,4-Diaminotoluene and 2,6-Dinitrotoluene

4-Acetylamino-2-hydroxylaminotoluene (4AA2HAT) and 2-hydroxylamino-6-nitrotoluene (2HA6NT) were prepared from 4-acetylamino-2-nitrotoluene (4AA2NT) and 2,6-dinitrotoluene (2,6-DNT), respectively, by reduction with zinc dust and NH4Cl. 2,6-Dinitrobenzylalcohol (2,6-DNB) and 2,6-dinitrobenzoic acid (2,6-DNBA) were prepared from 2,6-dinitrobenzaldehyde (2,6-DNBAl) by reduction with NaBH4 and by oxidation with KMnO4, respectively. 2-Acetylamino-4-aminobenzoic acid (2AA4ABA) was prepared from 4-nitroanthranilic acid (4NAA) by acetylation followed by reduction with NaBH4 and Pd-C. 2,4-Diacetylaminobenzoic acid (2,4-DAABA) was prepared from 4NAA by reduction with NaBH4 and Pd-C followed by acetylation. 4-Acetylamino-2-aminobenzoic acid (4AA2ABA) was prepared from 4NAA by reduction and acetylation followed by chelation with Cu(AcO)2.Keywords- 4-acetylamino-2-hydroxylaminotoluene; 2-hydroxylamino-6-nitrotoluene; 2,6-dinitrobenzylalcohol; 2,6-dinitrobenzoic acid; 2-acetylamino-4-aminobenzoic acid; 4-acetylamino-2-aminobenzoic acid; 2,4-diacetylaminobenzoic acid; carcinogenicity; mutagenicity; preparation