3-Amino-4-methoxybenzenesulfonyl fluoride

Base Information

• Chemical Name: 3-Amino-4-methoxybenzenesulfonyl fluoride
• CAS No.: 498-74-8
• Molecular Formula: C7H8FNO3S
• Molecular Weight: 205.21
• Hs Code.: 29214200
• European Community (EC) Number: 207-870-2
• NSC Number: 95416
• UNII: XQ22RHN2MA
• DSSTox Substance ID: DTXSID60198078
• Nikkaji Number: J182.247K
• Wikidata: Q83070840
• Mol file: 498-74-8.mol

Synonyms:498-74-8;4-Methoxymetanilyl fluoride;3-amino-4-methoxybenzenesulfonyl fluoride;3-amino-4-methoxybenzene-1-sulfonyl fluoride;3-Amino-4-methoxyphenylsulphonyl fluoride;XQ22RHN2MA;EINECS 207-870-2;NSC-95416;3-Amino-4-methoxyphenylsulfonyl fluoride;Benzenesulfonyl fluoride, 3-amino-4-methoxy-;MFCD00007417;3-Amino-4-methoxybenzenesulphonyl fluoride;3-Amino-4-methoxy benzene sulphonylfluoride;UNII-XQ22RHN2MA;SCHEMBL4242536;4-METHOXYMETANILYLFLUORIDE;C7-H8-F-N-O3-S;DTXSID60198078;NSC95416;NSC 95416;AKOS024306976;SB78185;PS-10925;3-amino-4-methoxy-benzenesulfonyl fluoride;3-amino-4-methoxybenzene-1-sulfonylfluoride;CS-0206743;FT-0618943;FT-0632232;Benzenesulphonyl fluoride, 3-amino-4-methoxy-;F76188;3-Amino-4-methoxybenzenesulfonyl fluoride, 97%;EN300-1587259;A827887

Chemical Property of 3-Amino-4-methoxybenzenesulfonyl fluoride

Chemical Property:

• Appearance/Colour: beige to brown crystalline solid
• Vapor Pressure: 0.000224mmHg at 25°C
• Melting Point: 60-65 °C
• Refractive Index: 1.552
• Boiling Point: 324.4 °C at 760 mmHg
• PKA: 2.09±0.10(Predicted)
• Flash Point: 150 °C
• PSA: 77.77000
• Density: 1.401 g/cm³
• LogP: 2.59760
• Sensitive.: Moisture Sensitive
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 205.02089245
• Heavy Atom Count: 13
• Complexity: 261

Purity/Quality:

98% ^*data from raw suppliers

4-Methoxymetanilylfluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,C
• Statements: 36/37/38-34
• Safety Statements: 24/25-45-36/37/39-28-27-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)S(=O)(=O)F)N

Technology Process of 3-Amino-4-methoxybenzenesulfonyl fluoride

There total 3 articles about 3-Amino-4-methoxybenzenesulfonyl 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:

4-methoxy-3-nitro-benzenesulfonyl fluoride (321-10-8) → 3-Amino-4-methoxy benzene sulphonylfluoride (498-74-8)

Guidance literature:

With hydrogenchloride; tin; at 45 - 50 ℃;

Reference yield:

4-methoxybenzene-1-sulfonyl fluoride (368-91-2) → 3-Amino-4-methoxy benzene sulphonylfluoride (498-74-8)

Guidance literature:

Multi-step reaction with 2 steps

1: HNO₃+H₂SO₄ / 6 - 8 °C

2: tin; concentrated hydrochloric acid / 45 - 50 °C

With hydrogenchloride; tin; sulfuric acid; nitric acid;

Reference yield:

→ 3-Amino-4-methoxy benzene sulphonylfluoride (498-74-8)

Guidance literature:

3-Acetamino-4-methoxy-benzolsulfonylfluorid, sd. wss. aethanol. HCl;

upstream raw materials:

4-methoxy-3-nitro-benzenesulfonyl fluoride

4-methoxybenzene-1-sulfonyl fluoride

Downstream raw materials:

3-acetamido-4-methoxybenzenesulfonyl fluoride

1-methoxy-2-amino-benzene-4-sulfonamide

4-methoxy-3-thioureido-benzenesulfonamide

3-Isothiocyanato-4-methoxy-benzenesulfonamide