2,5-Bis(trifluoromethyl)bromobenzene

• CAS: 7617-93-8
• Catalog Number: ACM7617938
• Category: Bromine Series
• Molecular Weight: 293
• Molecular Formula: C₈H₃BrF₆
• Synonyms: Ambap4151, 438782_ALDRICH, 2,5-Bis(trifluoromethyl)bromobenzene, JRD-1672, 7617-93-8
• IUPAC Name: 2-bromo-1,4-bis(trifluoromethyl)benzene
• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)C(F)(F)F
• InChI Key: GFQNSGHVOFVTLC-UHFFFAOYSA-N
• Boiling Point: 146-147ºC
• Melting Point: 5ºC
• Flash Point: >230 °F
• Density: 1.691
• Appearance: clear colorless liquid
• Exact Mass: 291.93200
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 6
• H-Bond Donor: 0
• Safety Description: S26-S37/39
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2,5-Bis(trifluoromethyl)bromobenzene?

The molecular formula is C8H3BrF6.

What is the molecular weight of 2,5-Bis(trifluoromethyl)bromobenzene?

The molecular weight is 293.00 g/mol.

What is the IUPAC name of 2,5-Bis(trifluoromethyl)bromobenzene?

The IUPAC name is 2-bromo-1,4-bis(trifluoromethyl)benzene.

What is the InChI of 2,5-Bis(trifluoromethyl)bromobenzene?

The InChI is InChI=1S/C8H3BrF6/c9-6-3-4(7(10,11)12)1-2-5(6)8(13,14)15/h1-3H.

What is the InChIKey of 2,5-Bis(trifluoromethyl)bromobenzene?

The InChIKey is GFQNSGHVOFVTLC-UHFFFAOYSA-N.

What is the canonical SMILES representation of 2,5-Bis(trifluoromethyl)bromobenzene?

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

What is the CAS number of 2,5-Bis(trifluoromethyl)bromobenzene?

The CAS number is 7617-93-8.

What is the EC number of 2,5-Bis(trifluoromethyl)bromobenzene?

The EC number is 676-876-9.

What is the DSSTox Substance ID of 2,5-Bis(trifluoromethyl)bromobenzene?

The DSSTox Substance ID is DTXSID10370488.

Is 2,5-Bis(trifluoromethyl)bromobenzene a canonicalized compound?

Yes, it is a canonicalized compound.