4-Bromo-3-methylbenzenesulfonyl chloride

• CAS: 72256-93-0
• Catalog Number: ACM72256930
• Category: Bromine Series
• Molecular Weight: 269.54
• Molecular Formula: C₇H₆O₂BrClS
• Synonyms: 4-Bromo-3-methylbenzenesulfonyl chloride, 72256-93-0, 4-bromo-3-methylbenzenesulphonyl chloride, 4-Bromo-3-methylbenzene-1-sulfonyl chloride, T5219045, PubChem15805, 4-bromo-3-methyl-benzenesulfonyl Chloride, AC1MC7EP, ACMC-1BHO4, 556009_ALDRICH, CTK2H7043, JRNDXUKMWFVEIC-UHFFFAOYSA-, MolPort-000-152-190, 6-Bromotoluene-3-sulfonyl chloride, ANW-36180, SBB082162, (4-bromo-3-methylphenyl)chlorosulfone, AKOS000199881, 6-Bromo-m-toluene-3-sulfonyl Chloride, AG-G-84261
• IUPAC Name: 4-bromo-3-methylbenzenesulfonyl chloride
• Canonical SMILES: CC1=C(C=CC(=C1)S(=O)(=O)Cl)Br
• InChI Key: JRNDXUKMWFVEIC-UHFFFAOYSA-N
• Boiling Point: 311.2ºC at 760 mmHg
• Melting Point: 58-61ºC
• Flash Point: 142ºC
• Density: 1.7
• Exact Mass: 267.89600
• Hazard Statements: C:Corrosive
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Packing Group: II
• Safety Description: S26-S36/37/39-S45
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 4-Bromo-3-methylbenzenesulfonyl chloride?

The molecular formula is C7H6BrClO2S.

What is the molecular weight of 4-Bromo-3-methylbenzenesulfonyl chloride?

The molecular weight is 269.54 g/mol.

What is the IUPAC name of 4-Bromo-3-methylbenzenesulfonyl chloride?

The IUPAC name is 4-bromo-3-methylbenzenesulfonyl chloride.

What is the InChI of 4-Bromo-3-methylbenzenesulfonyl chloride?

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

What is the InChIKey of 4-Bromo-3-methylbenzenesulfonyl chloride?

The InChIKey is JRNDXUKMWFVEIC-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromo-3-methylbenzenesulfonyl chloride?

The canonical SMILES is CC1=C(C=CC(=C1)S(=O)(=O)Cl)Br.

What is the CAS number of 4-Bromo-3-methylbenzenesulfonyl chloride?

The CAS number is 72256-93-0.

What is the European Community (EC) Number of 4-Bromo-3-methylbenzenesulfonyl chloride?

The EC Number is 627-773-2.

What is the DSSTox Substance ID of 4-Bromo-3-methylbenzenesulfonyl chloride?

The DSSTox Substance ID is DTXSID70372100.

Is 4-Bromo-3-methylbenzenesulfonyl chloride a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 95-46-5

• 72256-93-0

Reference: [1] Journal of the American Chemical Society, 1940, vol. 62, p. 511,512
[2] Journal of the American Chemical Society, 1938, vol. 60, p. 1
[3] Journal of the American Chemical Society, 1940, vol. 62, p. 511,512
[4] Journal of the American Chemical Society, 1938, vol. 60, p. 1

Upstream Synthesis Route 2

• 95-46-5

• 72256-93-0

Reference: [1]Journal of the American Chemical Society,1940,vol. 62,p. 511,512
[2]Journal of the American Chemical Society,1940,vol. 62,p. 511,512