1-Bromo-4-(trifluoromethoxy)benzene

• CAS: 407-14-7
• Catalog Number: ACM407147
• Category: Bromine Series
• Molecular Weight: 241.01
• Molecular Formula: C7H4BrF3O
• Synonyms: Benzene, 1-bromo-4-(trifluoromethoxy)-
• IUPAC Name: 1-bromo-4-(trifluoromethoxy)benzene
• Canonical SMILES: C1=CC(=CC=C1OC(F)(F)F)Br
• InChI: InChI=1S/C7H4BrF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
• InChI Key: SEAOBYFQWJFORM-UHFFFAOYSA-N
• Boiling Point: 80 ºC 50 mmHg (lit.)
• Density: 1.622 g/ml
• Complexity: 140
• Covalently-Bonded Unit Count: 1
• EC Number: 206-979-2
• Exact Mass: 239.93976g/mol
• Formal Charge: 0
• Hazard Statements: H225-H302-H336
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 12
• Monoisotopic Mass: 239.93976g/mol
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 1
• Symbol: GHS02
• XLogP3: 3.8

Custom Q&A

What is the PubChem CID of 1-Bromo-4-(trifluoromethoxy)benzene?

PubChem CID 521008

What is the molecular formula of 1-Bromo-4-(trifluoromethoxy)benzene?

The molecular formula is C7H4BrF3O.

What is the molecular weight of 1-Bromo-4-(trifluoromethoxy)benzene?

The molecular weight is 241.00 g/mol.

What is the IUPAC name of 1-Bromo-4-(trifluoromethoxy)benzene?

The IUPAC name is 1-bromo-4-(trifluoromethoxy)benzene.

What is the InChI of 1-Bromo-4-(trifluoromethoxy)benzene?

The InChI is InChI=1S/C7H4BrF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H.

What is the InChIKey of 1-Bromo-4-(trifluoromethoxy)benzene?

The InChIKey is SEAOBYFQWJFORM-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Bromo-4-(trifluoromethoxy)benzene?

The canonical SMILES is C1=CC(=CC=C1OC(F)(F)F)Br.

What is the CAS number of 1-Bromo-4-(trifluoromethoxy)benzene?

The CAS number is 407-14-7.

What is the European Community (EC) number of 1-Bromo-4-(trifluoromethoxy)benzene?

The EC number is 206-979-2.

Is 1-Bromo-4-(trifluoromethoxy)benzene considered a canonicalized compound?

Yes, it is considered a canonicalized compound.