Benzenesulfonic acid, 4-((methoxycarbonyl)amino)-, hydrazide (9CI)

Base Information

• Chemical Name: Benzenesulfonic acid, 4-((methoxycarbonyl)amino)-, hydrazide (9CI)
• CAS No.: 1879-26-1
• Molecular Formula: C₈H₁₁N₃O₄S
• Molecular Weight: 245.259
• DSSTox Substance ID: DTXSID30940263
• Nikkaji Number: J68.112A
• Wikidata: Q82916865
• Mol file: 1879-26-1.mol

Synonyms:1879-26-1;Methyl N-[4-(hydrazinesulfonyl)phenyl]carbamate;Benzenesulfonic acid, 4-((methoxycarbonyl)amino)-, hydrazide (9CI);Porofor Chkhz-5;Porophore 4X3-5;ChKhz 5;p-Urethylanphenylsulfonyl hydrazid;n-Methylurethanebenzenesulfohydrazine;BRN 2661558;p-Sulfocarbanilic acid C-methyl ester, hydrazide;4-14-00-02749 (Beilstein Handbook Reference);p-Sulfocarbanilic acid, N-methyl ester, S-hydrazide;DTXSID30940263;Benzenesulfonic acid, 4-((methoxycarbonyl)amino)-, hydrazide;Methyl [4-(hydrazinesulfonyl)phenyl]carbamate;4-Hydrazinosulphonylphenylcarbanoic acid methanol ester;Carbanilic acid, p-sulfo-, C-methyl ester, hydrazide;CARBANILIC ACID, p-SULFO-, N-METHYL ESTER, S-HYDRAZIDE

Chemical Property of Benzenesulfonic acid, 4-((methoxycarbonyl)amino)-, hydrazide (9CI)

Chemical Property:

• Vapor Pressure: 3.41E-12mmHg at 25°C
• Boiling Point: 533.1°Cat760mmHg
• Flash Point: 276.2°C
• PSA: 118.90000
• Density: 1.54g/cm³
• LogP: 2.26190
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 245.04702701
• Heavy Atom Count: 16
• Complexity: 330

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): A poison by ingestion and inhalation.
• Hazard Codes: A poison by ingestion and inhalation.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN

Technology Process of Benzenesulfonic acid, 4-((methoxycarbonyl)amino)-, hydrazide (9CI)

There total 2 articles about Benzenesulfonic acid, 4-((methoxycarbonyl)amino)-, hydrazide (9CI) 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-methoxycarbonylamino-benzenesulfonyl chloride (21926-53-4) → 4-Methoxycarbonylamino-benzolsulfonsaeure-hydrazid (1879-26-1)

Guidance literature:

With hydrazine hydrate;

Reference yield:

→ 4-Methoxycarbonylamino-benzolsulfonsaeure-hydrazid (1879-26-1)

Guidance literature:

4-Methoxycarbonylamino-benzolsulfonylchlorid, Hydrazin-hydrat, Me.;

Reference yield:

4-Methoxycarbonylamino-benzolsulfonsaeure-hydrazid (1879-26-1) → 4-methoxycarbonylamino-benzenesulfinic acid (98488-01-8)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

4-methoxycarbonylamino-benzenesulfonyl chloride

Downstream raw materials:

4-methoxycarbonylamino-benzenesulfinic acid

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