Nitroacetic acid

Base Information

• Chemical Name: Nitroacetic acid
• CAS No.: 625-75-2
• Molecular Formula: C2H3 N O4
• Molecular Weight: 105.05
• Hs Code.: 2915900090
• European Community (EC) Number: 815-622-5
• UNII: 6CMX4X7N84
• DSSTox Substance ID: DTXSID5058519
• Nikkaji Number: J508H,J1.621.202D
• Wikipedia: Nitroacetic_acid
• Wikidata: Q3299445
• ChEMBL ID: CHEMBL571463
• Mol file: 625-75-2.mol

Synonyms:nitroacetate;nitroacetic acid;nitroacetic acid, beryllium salt;nitroacetic acid, magnesium salt

Chemical Property of Nitroacetic acid

Chemical Property:

• Vapor Pressure: 0.000314mmHg at 25°C
• Melting Point: 87-89 °C
• Boiling Point: 297.9°C at 760 mmHg
• PKA: 1.48(at 24℃)
• Flash Point: 150.6°C
• PSA: 83.12000
• Density: 1.523g/cm³
• LogP: -0.12910
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 105.00620758
• Heavy Atom Count: 7
• Complexity: 92.4

Purity/Quality:

99%min ^*data from raw suppliers

ALFA-NITRO ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)O)[N+](=O)[O-]

Technology Process of Nitroacetic acid

There total 10 articles about Nitroacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

nitroacetic acid dipotasium salt → nitroacetic acid (625-75-2)

Guidance literature:

With L-Tartaric acid; water; at -15 - -5 ℃; for 0.25h;

DOI:10.1021/ol9026528

Reference yield: 76.0%

nitromethane (75-52-5) → nitroacetic acid (625-75-2)

Guidance literature:

With potassium hydroxide; In water; at 67 - 100 ℃; for 5h;

DOI:10.1021/ol0170152

Reference yield:

potassium nitroacetate (73506-45-3) → nitroacetic acid (625-75-2)

Guidance literature:

With L-Tartaric acid; In water; at -5 - 0 ℃; for 0.5h;

upstream raw materials:

nitromethane

N,N-dimethyl-formamide

carbon dioxide

potassium nitroacetate

Downstream raw materials:

methyl 2-nitroacetate

nitroacetic acid ethyl ester

nitromethane

methylammonium carbonate

Refernces

• 1、 -. "NITRONE HERBICIDES". Page/Page column 48; 49. . Retrieved 2018/07/26.
• 2、 Qi, Hengzhen,Li, Xinyao,Xu, Jiaxi. "Stereoselective control in the Staudinger reactions involving monosubstituted ketenes with electron acceptor substituents: Experimental investigation and theoretical rationalization". supporting information; experimental part. p. 2702 - 2714. Retrieved 2011/05/19.