4-Nitrophenyl bromoacetate

Base Information

• Chemical Name: 4-Nitrophenyl bromoacetate
• CAS No.: 19199-82-7
• Molecular Formula: C8H6 Br N O4
• Molecular Weight: 260.044
• Hs Code.: 2915900090
• European Community (EC) Number: 919-989-3,691-772-3
• NSC Number: 341921
• UNII: 1WE7149NTC
• DSSTox Substance ID: DTXSID10172747
• Nikkaji Number: J512.273B
• Wikidata: Q83042830
• Mol file: 19199-82-7.mol

Synonyms:4-nitrophenyl bromoacetate;p-nitrophenyl bromoacetate

Chemical Property of 4-Nitrophenyl bromoacetate

Chemical Property:

• Vapor Pressure: 1.95E-05mmHg at 25°C
• Melting Point: 83-85 °C
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 362.3°Cat760mmHg
• Flash Point: 172.9°C
• PSA: 72.12000
• Density: 1.709g/cm³
• LogP: 2.41830
• Storage Temp.: 0-6°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Hydrolyzes in water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 258.94802
• Heavy Atom Count: 14
• Complexity: 220

Purity/Quality:

99%, ^*data from raw suppliers

4-NITROPHENYL BROMOACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CBr
• Uses: 4-Nitrophenyl bromoacetate is used as a haloacetamide

Technology Process of 4-Nitrophenyl bromoacetate

There total 4 articles about 4-Nitrophenyl bromoacetate 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: 99.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2-Bromoacetyl bromide (598-21-0) → 4-nitrophenyl 2-bromoacetate (19199-82-7)

Guidance literature:

With triethylamine; In acetonitrile; at 20 ℃; for 1.33333h; Cooling with ice; Inert atmosphere;

Reference yield: 83.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + bromoacetic acid (79-08-3) → 4-nitrophenyl 2-bromoacetate (19199-82-7)

Guidance literature:

With dicyclohexyl-carbodiimide; In ethyl acetate; at 5 ℃; for 16h;

DOI:10.1021/jm00012a013

Reference yield: 32.0%

2-bromoacetyl chloride (22118-09-8) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 4-nitrophenyl 2-bromoacetate (19199-82-7)

Guidance literature:

With pyridine; In tetrahydrofuran; for 0.5h;

upstream raw materials:

2-bromoacetyl chloride

4-nitro-phenol

bromoacetic acid

2-Bromoacetyl bromide

Downstream raw materials:

5'-<(bromoacetyl)amino>-5'-deoxyinosine

Sodium; (S)-5-(2-bromo-acetylamino)-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanoate

Sodium; (S)-6-(2-bromo-acetylamino)-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-hexanoate

p-nitrophenolate

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