3-Bromo-N-hydroxybenzenecarboximidoyl chloride

Base Information

• Chemical Name: 3-Bromo-N-hydroxybenzenecarboximidoyl chloride
• CAS No.: 86405-09-6
• Molecular Formula: C7H5BrClNO
• Molecular Weight: 234.48
• Hs Code.: 2925290090
• European Community (EC) Number: 870-950-6
• Mol file: 86405-09-6.mol

Synonyms:86405-09-6;3-Bromo-N-hydroxybenzenecarboximidoyl chloride;3-bromo-N-hydroxybenzenecarboxymidoyl chloride;3-Bromo-N-hydroxybenzene-1-carbonimidoyl chloride;(1Z)-3-bromo-N-hydroxybenzenecarboximidoyl chloride;1446255-16-8;SCHEMBL2469052;SCHEMBL2469055;MFCD09831968;3-Bromo-N-hydroxybenzimidoyl chloride;EN300-268628;3-Bromo-N-hydroxybenzene-1-carbonimidoylchloride

Chemical Property of 3-Bromo-N-hydroxybenzenecarboximidoyl chloride

Chemical Property:

• PSA: 32.59000
• LogP: 2.82370
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 232.92430
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

3-bromo-N-hydroxybenzenecarboxymidoylchloride 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)C(=NO)Cl
• Isomeric SMILES: C1=CC(=CC(=C1)Br)/C(=N/O)/Cl

Technology Process of 3-Bromo-N-hydroxybenzenecarboximidoyl chloride

There total 3 articles about 3-Bromo-N-hydroxybenzenecarboximidoyl chloride 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: 100.0%

3-bromobenzaldehyde oxime (51873-95-1,52739-46-5,32605-62-2) → 3-bromo-N-hydroxybenzimidoyl chloride (86405-09-6)

Guidance literature:

With pyridine; N-chloro-succinimide; In chloroform; at 40 ℃; for 3h;

Reference yield: 99.0%

→ 3-bromo-N-hydroxybenzimidoyl chloride (86405-09-6)

Guidance literature:

Reference yield:

m-bromobenzoic aldehyde (3132-99-8) → 3-bromo-N-hydroxybenzimidoyl chloride (86405-09-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NH₂OH*HCl; AcONa / ethanol / 12 h

2: N-chlorosuccinimide; pyridine / CHCl₃; tetrahydrofuran / 2 h

With pyridine; N-chloro-succinimide; hydroxylamine hydrochloride; sodium acetate; In tetrahydrofuran; ethanol; chloroform;

DOI:10.1016/S0960-894X(03)00130-6

upstream raw materials:

3-bromobenzaldehyde oxime

m-bromobenzoic aldehyde

Downstream raw materials:

3-(3-bromophenyl)-4-oxo-6-acetoxy-3a,4,6,6a-tetrahydrofuro<3,4-d>isoxazole

3-(3-bromophenyl)-5,6-dihydro-1,4,2-oxathiazin-6-ol

8-(3-bromophenyl)-3,5,10-trioxa-9-azabicyclo<5,3,0>dec-8-ene

C₃₀H₃₁BrN₂O₇