2-Bromo-5-(trifluoromethyl)benzene sulfonyl chloride

• CAS: 176225-08-4
• Catalog Number: ACM176225084
• Category: Bromine Series
• Molecular Weight: 323.51
• Molecular Formula: C₇H₃BrClF₃O₂S
• Synonyms: 2-Bromo-5-(trifluoromethyl)benzenesulfonyl chloride, 176225-08-4, 2-Bromo-5-(Trifluoromethyl)Benzenesulphonyl Chloride, 2-bromo-5-(trifluoromethyl)benzene-1-sulfonyl chloride, AC1MCTOM, PubChem11717, AC1Q4IR7, AC1Q4J1F, ACMC-1C27D, 558435_ALDRICH, CTK0H3703, MolPort-000-152-459, AKOS009145587, AG-E-26611, AK-63491, KB-68285, 4-Bromo-3-(chlorosulphonyl)benzotrifluoride, FT-0611471, X8173, EN300-89690
• IUPAC Name: 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
• SMILES: C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)Br
• InChI Key: CBIFOAHDKKGDAC-UHFFFAOYSA-N
• Boiling Point: 325.5ºC at 760mmHg
• Flash Point: 150.7ºC
• Density: 1.84g/cm³
• Exact Mass: 321.86800
• Hazard Statements: C: Corrosive;Xi: Irritant
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Packing Group: II
• Safety Description: 26-27-36/37/39-45
• WGK Germany: 3

Custom Q&A

What is the PubChem CID for 2-Bromo-5-(trifluoromethyl)benzene sulfonyl chloride?

PubChem CID 2778613

What is the molecular formula of 2-Bromo-5-(trifluoromethyl)benzene sulfonyl chloride?

The molecular formula is C7H3BrClF3O2S.

What is the molecular weight of 2-Bromo-5-(trifluoromethyl)benzene sulfonyl chloride?

The molecular weight is 323.52 g/mol.

What is the IUPAC name of 2-Bromo-5-(trifluoromethyl)benzene sulfonyl chloride?

The IUPAC name is 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride.

What is the InChI of 2-Bromo-5-(trifluoromethyl)benzene sulfonyl chloride?

The InChI is InChI=1S/C7H3BrClF3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H.

What is the InChIKey of 2-Bromo-5-(trifluoromethyl)benzene sulfonyl chloride?

The InChIKey is CBIFOAHDKKGDAC-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Bromo-5-(trifluoromethyl)benzene sulfonyl chloride?

The Canonical SMILES is C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)Br.

What is the CAS number of 2-Bromo-5-(trifluoromethyl)benzene sulfonyl chloride?

The CAS number is 176225-08-4.

What is the molecular weight of 2-Bromo-5-(trifluoromethyl)benzene sulfonyl chloride according to PubChem?

The molecular weight is 323.52 g/mol.

Is 2-Bromo-5-(trifluoromethyl)benzene sulfonyl chloride considered a canonicalized compound?

Yes, it is considered a canonicalized compound according to PubChem.

Synthetic Use

Downstream Synthesis Route 1

• 176225-08-4
• 882424-02-4

• 882423-71-4

Reference: [1]Current Patent Assignee: AMGEN INC - WO2006/36664, 2006, A1
Location in patent: Page/Page column 141-142

Downstream Synthesis Route 2

• 176225-08-4
• 57260-71-6

• 1204535-37-4

Reference: [1]Current Patent Assignee: BIOGEN IDEC INC. - US2010/16330, 2010, A1
Location in patent: Page/Page column 13
[2]Current Patent Assignee: BIOGEN IDEC INC. - US2010/22555, 2010, A1
Location in patent: Page/Page column 17-18

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