2-Bromo-4-(trifluoromethyl)benzenesulfonylchloride

• CAS: 54403-98-4
• Catalog Number: ACM54403984
• Category: Bromine Series
• Molecular Weight: 323.51
• Molecular Formula: C₇H₃O₂BrClF₃S
• Synonyms: 54403-98-4, 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride, 2-Bromo-4-(trifluoromethyl)benzene-1-sulfonyl chloride, 2-bromo-4-(trifluoromethyl)benzenesulfonylchloride, SBB066553, 2-bromo-4-(trifluoromethyl)-benzenesulfonyl chloride, AC1MCTOG, PubChem11716, KSC269C3J, 558427_ALDRICH, CTK1G9134, MolPort-000-152-458, ACT01231, ANW-46302, AKOS000180332, AG-B-89936, AG-F-88668, RP06968, AK-86384, KB-86023
• IUPAC Name: 2-bromo-4-(trifluoromethyl)benzenesulfonyl chloride
• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)S(=O)(=O)Cl
• InChI Key: WWEGTYZLWBOTQW-UHFFFAOYSA-N
• Boiling Point: 235-236ºC(lit.)
• Flash Point: 95 °F
• Density: 1.865
• Exact Mass: 321.86800
• Hazard Statements: C,Xi
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Packing Group: III
• Safety Description: S26-S36/37/39-S45
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride?

The molecular formula is C7H3BrClF3O2S.

What is the molecular weight of 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride?

The molecular weight is 323.52 g/mol.

What is the IUPAC name of 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride?

The IUPAC name is 2-bromo-4-(trifluoromethyl)benzenesulfonyl chloride.

What is the InChI of 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride?

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

What is the InChIKey of 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride?

The InChIKey is WWEGTYZLWBOTQW-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride?

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

What is the CAS number of 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride?

The CAS number is 54403-98-4.

What is the European Community Number of 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride?

The European Community Number is 625-995-4.

Is 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride a canonicalized compound?

Yes, it is a canonicalized compound.