(Z)-2-chloro-2-phenylethenesulfonamide

Base Information

• Chemical Name: (Z)-2-chloro-2-phenylethenesulfonamide
• CAS No.: 64984-30-1
• Molecular Formula: C₈H₈ClNO₂S
• Molecular Weight: 217.676
• Hs Code.: 2935009090
• NSC Number: 303579
• Mol file: 64984-30-1.mol

Synonyms:(Z)-2-chloro-2-phenylethenesulfonamide;64984-30-1;NSC303579;NSC-303579;(1Z)-2-chloro-2-phenylethene-1-sulfonamide;A867776

Chemical Property of (Z)-2-chloro-2-phenylethenesulfonamide

Chemical Property:

• Vapor Pressure: 1.22E-05mmHg at 25°C
• Refractive Index: 1.607
• Boiling Point: 369.1 °C at 760 mmHg
• PKA: 7.47±0.60(Predicted)
• Flash Point: 177 °C
• PSA: 68.54000
• Density: 1.419 g/cm³
• LogP: 3.29340
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 216.9964274
• Heavy Atom Count: 13
• Complexity: 286

Purity/Quality:

99% ^*data from raw suppliers

(Z)-2-Chloro-2-phenylethenesulfonamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=CS(=O)(=O)N)Cl
• Isomeric SMILES: C1=CC=C(C=C1)/C(=C/S(=O)(=O)N)/Cl

Technology Process of (Z)-2-chloro-2-phenylethenesulfonamide

There total 1 articles about (Z)-2-chloro-2-phenylethenesulfonamide 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:

α-acetophenonesulfonic acid sodium salt (63738-92-1) → (Z)-2-chloro-2-phenyl-ethenesulfonic acid amide (64984-30-1)

Guidance literature:

Multistep reaction; (i) PCl₅, (ii) aq. NH₃;

DOI:10.1246/bcsj.50.2346

Reference yield:

(Z)-2-chloro-2-phenyl-ethenesulfonic acid amide (64984-30-1) → N-(Benzoylmethylsulfonyl)-N'-hexylharnstoff (68468-70-2)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / acetone

2: aq. NaOH

With sodium hydroxide; potassium carbonate; In acetone;

DOI:10.1246/bcsj.51.1805

Reference yield:

Hexyl isocyanate (2525-62-4,26746-07-6) + (Z)-2-chloro-2-phenyl-ethenesulfonic acid amide (64984-30-1) → N-<(Z)-β-Chlorostyrylsulfonyl>-N'-hexylharnstoff (68468-77-9)

Guidance literature:

With potassium carbonate; In acetone;

DOI:10.1246/bcsj.51.1805

upstream raw materials:

α-acetophenonesulfonic acid sodium salt

Downstream raw materials:

N-<(Z)-β-Chlorostyrylsulfonyl>-N'-hexylharnstoff

(Z)-2-chloro-2-phenyl-ethenesulfonic acid phenylcarbamoyl-amide

N-<(Z)-β-Chlorostyrylsulfonyl>-N'-methylharnstoff

(1,1-dioxo-5-phenyl-1H-1λ⁶-[1,4,2]dithiazin-3-yl)-methyl-amine