3-Amino-4-chlorobenzenesulfonyl fluoride

Base Information

• Chemical Name: 3-Amino-4-chlorobenzenesulfonyl fluoride
• CAS No.: 368-72-9
• Molecular Formula: C6H5ClFNO2S
• Molecular Weight: 209.629
• Hs Code.: 29214200
• European Community (EC) Number: 206-710-9
• NSC Number: 119917
• DSSTox Substance ID: DTXSID00190273
• Nikkaji Number: J213.554J
• Wikidata: Q83062612
• Mol file: 368-72-9.mol

Synonyms:3-Amino-4-chlorobenzenesulfonyl fluoride;368-72-9;3-amino-4-chlorobenzene-1-sulfonyl fluoride;3-Amino-4-chlorobenzenesulphonyl fluoride;C6H5ClFNO2S;Benzenesulfonylfluoride, 3-amino-4-chloro-;EINECS 206-710-9;Benzenesulfonyl fluoride, 3-amino-4-chloro-;starbld0017926;SCHEMBL7769124;C6-H5-Cl-F-N-O2-S;DTXSID00190273;MFCD00007669;NSC119917;AKOS015888347;NSC 119917;NSC-119917;SB78414;BS-53124;3-AMINO-4-CHLOROphenylsulfonyl FLUORIDE;3-Amino-4-chloro benzene sulphonyl fluoride;FT-0632054;3-Amino-4-chlorobenzenesulfonic acid fluoride;E85035;EN300-1587258;3-AMINO-4-CHLOROBENZENE SULFONYL FLUORIDE;3-AMINO-4-CHLORO-BENZENESULFONIC ACID FLUORIDE

Chemical Property of 3-Amino-4-chlorobenzenesulfonyl fluoride

Chemical Property:

• Appearance/Colour: light brown-yellow to brown crystalline powder
• Vapor Pressure: 0.000717mmHg at 25°C
• Melting Point: 64-68 °C
• Refractive Index: 1.57
• Boiling Point: 307.6 °C at 760 mmHg
• Flash Point: 139.8 °C
• PSA: 68.54000
• Density: 1.559 g/cm³
• LogP: 3.24240
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 208.9713554
• Heavy Atom Count: 12
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

3-AMINO-4-CHLOROBENZENE SULFONYL FLUORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-20/21/22
• Safety Statements: 45-36/37/39-26-28-27

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)F)N)Cl

Technology Process of 3-Amino-4-chlorobenzenesulfonyl fluoride

There total 2 articles about 3-Amino-4-chlorobenzenesulfonyl fluoride 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:

→ 3-Amino-4-chloro benzene sulphonyl fluoride (368-72-9)

Guidance literature:

With hydrogenchloride; tin;

Reference yield:

→ 3-Amino-4-chloro benzene sulphonyl fluoride (368-72-9)

Guidance literature:

3-Nitro-4-chlor-benzolsulfonylfluorid, H2/Raney-Ni/A.;

Reference yield:

3-Amino-4-chloro benzene sulphonyl fluoride (368-72-9) → C20H17ClFNO5S (1312719-47-3)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphorus trichloride / 5,5-dimethyl-1,3-cyclohexadiene / 1 h / Reflux

2: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; potassium carbonate / acetonitrile / 2 h / 50 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; potassium carbonate; phosphorus trichloride; In 5,5-dimethyl-1,3-cyclohexadiene; acetonitrile;

DOI:10.1016/j.ab.2011.03.008

Downstream raw materials:

C₁₃H₈ClFINO₃S

C₂₀H₁₇ClFNO₅S

C₁₆H₉ClFNO₅S

C₂₈H₂₉ClFN₅O₆S₂