(3-Nitrophenyl)methanesulfonyl chloride

Base Information

• Chemical Name: (3-Nitrophenyl)methanesulfonyl chloride
• CAS No.: 58032-84-1
• Molecular Formula: C7H6ClNO4S
• Molecular Weight: 235.648
• Hs Code.: 2904909090
• European Community (EC) Number: 679-482-5
• DSSTox Substance ID: DTXSID90526466
• Nikkaji Number: J2.859.842D
• Wikidata: Q82394926
• Mol file: 58032-84-1.mol

Synonyms:(3-nitrophenyl)methanesulfonyl chloride;58032-84-1;3-NITROPHENYLMETHANESULFONYL CHLORIDE;MFCD01859935;3-Nitrophenylmethanesulfonylchloride;benzenemethanesulfonyl chloride, 3-nitro-;SCHEMBL453567;SCHEMBL14039618;DTXSID90526466;AMY42125;3-Nitro-^a-toluenesulfonyl chloride;(3-nitrophenyl)methanesulfonylchloride;AKOS000155647;3-nitro-phenylmethane-sulfonyl chloride;AC-7132;(3-nitrophenyl)methanesulphonyl chloride;3-Nitro- alpha -toluenesulfonyl chloride;AS-64142;3-NITRO-ALPHA-TOLUENESULFONYL CHLORIDE;EN300-40108;F20013;A831707;(3-Nitrophenyl)methanesulfonyl chloride, AldrichCPR

Chemical Property of (3-Nitrophenyl)methanesulfonyl chloride

Chemical Property:

• Vapor Pressure: 4.93E-06mmHg at 25°C
• Melting Point: 95-100°C
• Boiling Point: 393.2°C at 760 mmHg
• Flash Point: 191.6°C
• PSA: 88.34000
• Density: 1.57g/cm³
• LogP: 3.26740
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 234.9706065
• Heavy Atom Count: 14
• Complexity: 305

Purity/Quality:

99% ^*data from raw suppliers

3-Nitrobenzenemethanesulfonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21-34-65-22
• Safety Statements: 26-27-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)Cl
• Uses: 3-Nitrobenzenemethanesulfonyl chloride is used as a reactant or reagent for organic reactions and synthesis.

Technology Process of (3-Nitrophenyl)methanesulfonyl chloride

There total 8 articles about (3-Nitrophenyl)methanesulfonyl chloride 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: 95.0%

→ (3-nitrophenyl)methanesulfonyl chloride (58032-84-1)

Guidance literature:

Reference yield: 77.0%

(3-nitrophenyl)methanethiol (77472-39-0) → (3-nitrophenyl)methanesulfonyl chloride (58032-84-1)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; In dichloromethane; water; Reflux;

DOI:10.1021/ja207004v

Reference yield:

3-Nitrobenzyl chloride (619-23-8) → (3-nitrophenyl)methanesulfonyl chloride (58032-84-1)

Guidance literature:

With methanol; sodium thiosulfate; und Behandeln des Reaktionsprodukts mit Chlor und wss.Essigsaeure;

DOI:10.1021/jo01144a013

upstream raw materials:

3-Nitrobenzyl chloride

Na-salt of 3-nitrobenzylsulfonic acid

benzenesulfonyl chloride

ethoxy(((3-nitrophenyl)methyl)sulfanyl)methanethione

Downstream raw materials:

(3-nitrophenyl)methanesulfonamide

1-(3-nitrophenyl)-N-(3-[(triethylsilyl)oxy]propyl)methanesulfonamide

methyl 4-{2-[5-chloro-1-(diphenylmethyl)-2-(2-{[(3-nitrobenzyl)sulfonyl]amino}ethyl)-1H-indol-3-yl]ethoxy}benzoate

(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl (3-nitrophenyl)methanesulfonate

Refernces

• 1、 Morgan, M. Thomas,Bagchi, Pritha,Fahrni, Christoph J.. "Designed to dissolve: Suppression of colloidal aggregation of Cu(I)-selective fluorescent probes in aqueous buffer and in-gel detection of a metallochaperone". . p. 15906 - 15909. Retrieved 2011/11/12.
• 2、 -. "Process for making an aldehyde". Page 19; 20. . Retrieved 2008/06/13.