m-Benzenedisulfonamide, 4-amino-6-chloro-N,N'-dimethyl-

Base Information

• Chemical Name: m-Benzenedisulfonamide, 4-amino-6-chloro-N,N'-dimethyl-
• CAS No.: 1027-12-9
• Molecular Formula: C8H12 Cl N3 O4 S2
• Molecular Weight: 313.786
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID00145460
• Nikkaji Number: J149.293D
• Wikidata: Q83010019
• Mol file: 1027-12-9.mol

Synonyms:1027-12-9;m-Benzenedisulfonamide, 4-amino-6-chloro-N,N'-dimethyl-;K 572;4-amino-6-chloro-1-N,3-N-dimethylbenzene-1,3-disulfonamide;BRN 2009378;2-Chloro-6-amino-3,5-benzenedisulphonmethylamide;4-Amino-6-chloro-N,N'-dimethyl-m-benzenedisulfonamide;2-Cloro-6-amino-3,5-benzenedisulfonmetilamide [Italian];2-Cloro-6-amino-3,5-benzenedisulfonmetilamide;4-14-00-02810 (Beilstein Handbook Reference);4-Amino-6-chloro-N,N/'-dimethyl-1,3-benzenedisulfonamide;C8H12ClN3O4S2;Hydrochlorothiazide Impurity 29;DTXSID00145460;BCP33639;C8-H12-Cl-N3-O4-S2;ZINC01482003;LS-30035;FT-0729356;1,3-Benzenedisulfonamide, 4-amino-6-chloro-N,N'-dimethyl-

Chemical Property of m-Benzenedisulfonamide, 4-amino-6-chloro-N,N'-dimethyl-

Chemical Property:

• Melting Point: 186-190 °C
• Boiling Point: 528.3±60.0 °C(Predicted)
• PKA: 10.66±0.50(Predicted)
• Flash Point: 273.3oC
• PSA: 135.12000
• Density: 1.531±0.06 g/cm3(Predicted)
• LogP: 3.26300
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 312.9957759
• Heavy Atom Count: 18
• Complexity: 482

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNS(=O)(=O)C1=CC(=C(C=C1N)Cl)S(=O)(=O)NC

Technology Process of m-Benzenedisulfonamide, 4-amino-6-chloro-N,N'-dimethyl-

There total 3 articles about m-Benzenedisulfonamide, 4-amino-6-chloro-N,N'-dimethyl- 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-chloro-aniline (108-42-9) → 5-Chlor-2.4-bis-methylsulfamoyl-anilin (1027-12-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ClSO₃H, NaCl / 150 °C

2: H₂O

With chlorosulfonic acid; sodium chloride; In water;

DOI:10.1021/jo01076a027

Reference yield:

4-amino-6-chloro-benzene-1,3-disulfonyl chloride (671-89-6) + methylamine (74-89-5) → 5-Chlor-2.4-bis-methylsulfamoyl-anilin (1027-12-9)

Guidance literature:

DOI:10.1021/ja01490a028

Reference yield:

→ 5-Chlor-2.4-bis-methylsulfamoyl-anilin (1027-12-9)

Guidance literature:

/BRN= 1083877/;

DOI:10.1021/jo01076a027 DOI:10.1021/ja01565a079

upstream raw materials:

4-amino-6-chloro-benzene-1,3-disulfonyl chloride

methylamine

3-chloro-aniline

Downstream raw materials:

6-Chlor-2-methyl-7-(N-methyl-sulfamoyl)-3,4-dihydro-1,2,4-benzothiadiazin-1,1-dioxid

4-amino-6-hydroxy-benzene-1,3-disulfonic acid bis-methylamide

6-chloro-2-methyl-1,1-dioxo-3-(2-oxo-propyl)-1,2,3,4-tetrahydro-1λ⁶-benzo[1,2,4]thiadiazine-7-sulfonic acid methylamide

6-chloro-2-methyl-1,1-dioxo-7-sulfamoyl-1,2,3,4-tetrahydro-1λ⁶-benzo[1,2,4]thiadiazine-3-carboxylic acid 6-[4-(2-methoxy-phenyl)-piperazin-1-yl]-hexylamide

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