4-Bromophenyl chloroformate

Base Information

• Chemical Name: 4-Bromophenyl chloroformate
• CAS No.: 7693-44-9
• Molecular Formula: C7H4BrClO2
• Molecular Weight: 235.465
• Hs Code.: 2915900090
• European Community (EC) Number: 627-531-6
• DSSTox Substance ID: DTXSID90412299
• Wikidata: Q82219591
• Mol file: 7693-44-9.mol

Synonyms:4-Bromophenyl chloroformate;7693-44-9;4-Bromophenyl carbonochloridate;(4-bromophenyl) carbonochloridate;4-Bromophenylchloroformate;4-Bromophenylcarbonochloridate;SCHEMBL1268683;DTXSID90412299;IKMNJYGTSSQNSE-UHFFFAOYSA-N;4-Bromophenyl chloroformate, 96%;MFCD00013256;AKOS015891075;SY113865;FT-0636568;EN300-270968

Chemical Property of 4-Bromophenyl chloroformate

Chemical Property:

• Vapor Pressure: 0.0318mmHg at 25°C
• Refractive Index: n20/D 1.5575(lit.)
• Boiling Point: 118oC(12 torr)
• Flash Point: >230 °F
• PSA: 26.30000
• Density: 1.648 g/mL at 25oC(lit.)
• LogP: 3.18670
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 233.90832
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

4-BROMOPHENYL CHLOROFORMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 23/24/25-34
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1OC(=O)Cl)Br
• Uses: 4-Bromophenyl Chloroformate is a useful organic building block.

Technology Process of 4-Bromophenyl chloroformate

There total 4 articles about 4-Bromophenyl chloroformate 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:

phosgene (75-44-5) + 4-bromo-phenol (106-41-2) → 4-bromophenyl chloroformate (7693-44-9)

Guidance literature:

With pyridine; In dichloromethane; at 0 ℃;

DOI:10.1021/ja00814a036

Reference yield:

4-bromo-phenol (106-41-2) + bis(trichloromethyl) carbonate (32315-10-9) → 4-bromophenyl chloroformate (7693-44-9)

Guidance literature:

With N,N-diethylaniline; In toluene; at 20 ℃; for 2h; Cooling with ice;

DOI:10.1021/acs.orglett.8b01980

Reference yield:

phosgene (75-44-5) → 4-bromophenyl chloroformate (7693-44-9)

Guidance literature:

With benzene;

upstream raw materials:

phosgene

4-bromo-phenol

bis(trichloromethyl) carbonate

Downstream raw materials:

1,4-diazabicyclo[3.2.2]nonane-4-carboxylic acid 4-bromophenyl ester

SSR₁₈₀₇₁₁ hydrochloride

4-bromophenyl [3-(5-methyl-1,2,4-oxadiazol-3-yl)benzyl]propylcarbamate

5-(Methoxyimino-methyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid 4-bromo-phenyl ester

Refernces

• 1、 -. "PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS". Page/Page column 89. . Retrieved 2009/02/11.