3-Nitrophenylmethanesulfonyl chloride

• CAS: 58032-84-1
• Catalog Number: ACM58032841
• Category: Other Products
• Molecular Weight: 235.64
• Molecular Formula: C₇H₆ClNO₄S
• Synonyms: 3-NITROPHENYLMETHANESULFONYL CHLORIDE, 58032-84-1, (3-nitrophenyl)methanesulfonyl chloride, 3-Nitrobenzylsulfonyl Chloride, AG-G-05199, chloro[(3-nitrophenyl)methyl]sulfone, AGN-PC-00LEG3, ACMC-1B04D, CTK5A7759, MolPort-004-316-685, ANW-66476, SBB072111, AKOS000155647, AB10011, AC-7132, AG-C-73820, MCULE-6800233589, AK-45005, KB-33010, 3-NITROBENZENEMETHANESULFONYL CHLORIDE
• IUPAC Name: (3-nitrophenyl)methanesulfonyl chloride
• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)Cl
• InChI Key: IUYFKLDRPZLAQQ-UHFFFAOYSA-N
• Boiling Point: 393.2ºC at 760 mmHg
• Melting Point: 95-100ºC
• Flash Point: 191.6ºC
• Density: 1.57g/cm³
• Exact Mass: 234.97100
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Packing Group: II
• Safety Description: 26-27-36/37/39

Synthetic Use

Upstream Synthesis Route 1

• 619-23-8

• 58032-84-1

Reference: [1]Ziegler; Sprague
[Journal of Organic Chemistry, 1951, vol. 16, p. 621,622,624]
[2]Morgan, M. Thomas; Bagchi, Pritha; Fahrni, Christoph J.
[Journal of the American Chemical Society, 2011, vol. 133, # 40, p. 15906 - 15909]

Downstream Synthesis Route 1

• 58032-84-1

• 110654-66-5

Reference: [1]Current Patent Assignee: CATALYST THERAPEUTICS - WO2015/172203, 2015, A1
Location in patent: Page/Page column 91

Downstream Synthesis Route 2

• 908094-01-9
• 58032-84-1

• 5301-95-1

Reference: [1]Rossi,S.; Maiorana,S.
[Tetrahedron Letters, 1966, p. 263 - 267]

* For details of the synthesis route, please refer to the original source to ensure accuracy.