2-Bromoaniline Hydrochloride

Base Information

• Chemical Name: 2-Bromoaniline Hydrochloride
• CAS No.: 94718-79-3
• Molecular Formula: C6H6 Br N . Cl H
• Molecular Weight: 208.485
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID50480671
• Mol file: 94718-79-3.mol

Synonyms:2-Bromoaniline Hydrochloride;94718-79-3;2-Bromoaniline HCl;2-BromoanilineHydrochloride;2-bromoaniline;hydrochloride;2-bromanylaniline hydrochloride;SCHEMBL2855438;DTXSID50480671;MFCD00060215;AKOS015843707;SB78194;AS-59449;B0870;CS-0321666;FT-0746405;N12017;A845049

Chemical Property of 2-Bromoaniline Hydrochloride

Chemical Property:

• Melting Point: 217-220 °C (decomp)
• Boiling Point: 263.6oC at 760 mmHg
• Flash Point: 113.2oC
• PSA: 26.02000
• LogP: 3.41450
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: almost transparency in hot Water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 206.94504
• Heavy Atom Count: 9
• Complexity: 74.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Bromoaniline Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N)Br.Cl

Technology Process of 2-Bromoaniline Hydrochloride

There total 2 articles about 2-Bromoaniline Hydrochloride 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: 70.0%

2-nitrophenyl bromide (577-19-5) → o-bromoaniline hydrochloride (94718-79-3)

Guidance literature:

2-nitrophenyl bromide; With hydrogen; C₁₉H₁₂N₄^(2-)*C₂H₆OS*Co⁽²⁺⁾; In ethanol; at 120 ℃; for 15h; under 30003 Torr; Autoclave;

With hydrogenchloride; In diethyl ether; dichloromethane;

DOI:10.1002/ejoc.202100073

Reference yield:

2-bromoaniline (615-36-1) → o-bromoaniline hydrochloride (94718-79-3)

Guidance literature:

With hydrogenchloride; In ethanol; water;

DOI:10.1021/cg201683p

Reference yield: 88.0%

o-bromoaniline hydrochloride (94718-79-3) + N-(m-ethylphenyl)-N-methylcyanamide (137160-25-9) → N'-(2-Bromo-phenyl)-N-(3-ethyl-phenyl)-N-methyl-guanidine; hydrochloride

Guidance literature:

In chlorobenzene; at 140 - 150 ℃;

DOI:10.1021/jm970459c

upstream raw materials:

2-nitrophenyl bromide

2-bromoaniline

Downstream raw materials:

4,4'-Diamino-3,3'-dibromo-diphenylmethane

1-bromo-2-(4-methylphenylsulfanyl)benzene

1-bromo-2-isothiocyanatobenzene

1-(2-bromophenyl)thiourea

Refernces

• 1、 -. "Synthesis of 7-halo indoles (by machine translation)". Paragraph 0025. . Retrieved 2017/01/12.
• 2、 Attrell, Robert J.,Widdifield, Cory M.,Korobkov, Ilia,Bryce, David L.. "Weak halogen bonding in solid haloanilinium halides probed directly via chlorine-35, bromine-81, and iodine-127 NMR spectroscopy". experimental part. p. 1641 - 1653. Retrieved 2012/06/30.