4-Bromo-2-methylbenzenesulfonyl chloride

• CAS: 139937-37-4
• Catalog Number: ACM139937374
• Category: Bromine Series
• Molecular Weight: 269.54
• Molecular Formula: C₈H₈F₂
• Hazard Statements: H226-H315-H319-H335
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 4-Bromo-2-methylbenzenesulfonyl chloride?

The molecular formula of 4-Bromo-2-methylbenzenesulfonyl chloride is C7H6BrClO2S.

What is the molecular weight of 4-Bromo-2-methylbenzenesulfonyl chloride?

The molecular weight of 4-Bromo-2-methylbenzenesulfonyl chloride is 269.54 g/mol.

What is the IUPAC name of 4-Bromo-2-methylbenzenesulfonyl chloride?

The IUPAC name of 4-Bromo-2-methylbenzenesulfonyl chloride is 4-bromo-2-methylbenzenesulfonyl chloride.

What is the InChI of 4-Bromo-2-methylbenzenesulfonyl chloride?

The InChI of 4-Bromo-2-methylbenzenesulfonyl chloride is InChI=1S/C7H6BrClO2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,1H3.

What is the InChIKey of 4-Bromo-2-methylbenzenesulfonyl chloride?

The InChIKey of 4-Bromo-2-methylbenzenesulfonyl chloride is KNBSFUSBZNMAKU-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromo-2-methylbenzenesulfonyl chloride?

The canonical SMILES of 4-Bromo-2-methylbenzenesulfonyl chloride is CC1=C(C=CC(=C1)Br)S(=O)(=O)Cl.

What is the CAS number of 4-Bromo-2-methylbenzenesulfonyl chloride?

The CAS number of 4-Bromo-2-methylbenzenesulfonyl chloride is 139937-37-4.

What is the European Community (EC) number of 4-Bromo-2-methylbenzenesulfonyl chloride?

The European Community (EC) number of 4-Bromo-2-methylbenzenesulfonyl chloride is 679-072-6.

What is the XLogP3-AA value of 4-Bromo-2-methylbenzenesulfonyl chloride?

The XLogP3-AA value of 4-Bromo-2-methylbenzenesulfonyl chloride is 3.

Is 4-Bromo-2-methylbenzenesulfonyl chloride considered a canonical compound?

Yes, 4-Bromo-2-methylbenzenesulfonyl chloride is considered a canonical compound.

Synthetic Use

Upstream Synthesis Route 1

• 591-17-3

• 139937-37-4

Reference: [1]Chen, Qiao-Hong; Rao, P. N. Praveen; Knaus, Edward E.
[Bioorganic and Medicinal Chemistry, 2005, vol. 13, # 7, p. 2459 - 2468]

Upstream Synthesis Route 2

• 14395-51-8

• 139937-37-4

Reference: [1]Truce; Amos
[Journal of the American Chemical Society, 1951, vol. 73, p. 3013,3016]

Downstream Synthesis Route 1

• 139937-37-4

• 116340-67-1

Reference: [1]Current Patent Assignee: INVENTIVA SA - EP3632908, 2020, A1
Location in patent: Paragraph 0096

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