4-Bromobenzotrifluoride

• CAS: 402-43-7
• Catalog Number: ACM402437
• Category: Bromine Series
• Molecular Weight: 225.01g/mol
• Molecular Formula: C7H4BrF3
• IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene
• Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)Br
• InChI: InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
• InChI Key: XLQSXGGDTHANLN-UHFFFAOYSA-N
• Boiling Point: 160.0 °C
• Complexity: 124
• Covalently-Bonded Unit Count: 1
• EC Number: 206-943-6
• Exact Mass: 223.94485g/mol
• Formal Charge: 0
• Hazard Statements: H302
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 11
• Monoisotopic Mass: 223.94485g/mol
• Rotatable Bond Count: 0
• Symbol: GHS07
• XLogP3: 3.9

Custom Q&A

What is the molecular formula of 4-Bromobenzotrifluoride?

The molecular formula of 4-Bromobenzotrifluoride is C7H4BrF3.

What is the molecular weight of 4-Bromobenzotrifluoride?

The molecular weight of 4-Bromobenzotrifluoride is 225.01 g/mol.

What is the IUPAC name of 4-Bromobenzotrifluoride?

The IUPAC name of 4-Bromobenzotrifluoride is 1-bromo-4-(trifluoromethyl)benzene.

What is the InChI of 4-Bromobenzotrifluoride?

The InChI of 4-Bromobenzotrifluoride is InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H.

What is the InChIKey of 4-Bromobenzotrifluoride?

The InChIKey of 4-Bromobenzotrifluoride is XLQSXGGDTHANLN-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromobenzotrifluoride?

The canonical SMILES of 4-Bromobenzotrifluoride is C1=CC(=CC=C1C(F)(F)F)Br.

What is the CAS number of 4-Bromobenzotrifluoride?

The CAS number of 4-Bromobenzotrifluoride is 402-43-7.

What is the European Community (EC) number of 4-Bromobenzotrifluoride?

The European Community (EC) number of 4-Bromobenzotrifluoride is 206-943-6.

What is the DSSTox Substance ID of 4-Bromobenzotrifluoride?

The DSSTox Substance ID of 4-Bromobenzotrifluoride is DTXSID0059950.

Is 4-Bromobenzotrifluoride a canonicalized compound?

Yes, 4-Bromobenzotrifluoride is a canonicalized compound according to PubChem.