N-(4-bromophenyl)imidodicarbonimidic diamide

Base Information

• Chemical Name: N-(4-bromophenyl)imidodicarbonimidic diamide
• CAS No.: 101250-96-8
• Molecular Formula: C8H10BrN5
• Molecular Weight: 256.105
• DSSTox Substance ID: DTXSID90274879
• Mol file: 101250-96-8.mol

Synonyms:N-(4-bromophenyl)imidodicarbonimidic diamide;101250-96-8;2-(4-bromophenyl)-1-(diaminomethylidene)guanidine;N-(4-bromophenyl)-1-carbamimidamidomethanimidamide;CBDivE_002585;SCHEMBL4100270;DTXSID90274879;HMS1753B03;MFCD00464642;STK101235;AKOS001010397;NCGC00341959-01;LS-06771;N-(4-bromophenyl)imidodicarbonimidicdiamide;AB01328761-02;1-{[{[AMINO(IMINO)METHYL]AMINO}(IMINO)METHYL]AMINO}-4-BROMOBENZENE

Chemical Property of N-(4-bromophenyl)imidodicarbonimidic diamide

Chemical Property:

• Boiling Point: 330.0±44.0 °C(Predicted)
• PKA: 11.39±0.10(Predicted)
• PSA: 97.78000
• Density: 1.76±0.1 g/cm3(Predicted)
• LogP: 2.64250
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 255.01196
• Heavy Atom Count: 14
• Complexity: 238

Purity/Quality:

N-(4-Bromophenyl)imidodicarbonimidic diamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N=C(N)N=C(N)N)Br

Technology Process of N-(4-bromophenyl)imidodicarbonimidic diamide

There total 4 articles about N-(4-bromophenyl)imidodicarbonimidic diamide 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:

N-(4-bromophenyl)-1-carbamimidamidomethanimidamide hydrochloride (19579-40-9) → N-(4-bromophenyl)-1-carbamimidamidomethanimidamide (101250-96-8)

Guidance literature:

With sodium ethanolate; In ethanol; at 20 ℃; for 22h;

Reference yield:

4-bromoaniline hydrochloride (624-19-1) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → N-(4-bromophenyl)-1-carbamimidamidomethanimidamide (101250-96-8)

Guidance literature:

With water;

DOI:10.1039/jr9460000362 DOI:10.1039/jr9460001063

Reference yield:

1-phenylbiguanide (102-02-3) → N-(4-bromophenyl)-1-carbamimidamidomethanimidamide (101250-96-8)

Guidance literature:

With bromine;

upstream raw materials:

4-bromoaniline hydrochloride

N-Cyanoguanidine

1-phenylbiguanide

N-(4-bromophenyl)-1-carbamimidamidomethanimidamide hydrochloride

Downstream raw materials:

N-[amino(imino)methyl]-N'-(4-bromophenyl)urea

N-(4-bromo-phenyl)-[1,3,5]triazine-2,4-diamine

Refernces

• 1、 -. "Novel compounds having treatment of immune diseases and use therof". Paragraph 0086-0092. . Retrieved 2016/11/24.