2-Bromo-4-fluoro-6-(trifluoromethyl)aniline

• Catalog Number: ACM875664270
• Product Name: 2-Bromo-4-fluoro-6-(trifluoromethyl)aniline
• CAS: 875664-27-0
• Category: Bromine Series
• Synonyms: 2-BROMO-4-FLUORO-6-(TRIFLUOROMETHYL)ANILINE;BUTTPARK 154\11-38;2-Amino-3-bromo-5-fluorobenzotrifluoride, 98%
• IUPAC Name: 2-bromo-4-fluoro-6-(trifluoromethyl)aniline
• Molecular Weight: 258.01
• Molecular Formula: C₇H₄BrF₄N
• Canonical SMILES: C1=C(C=C(C(=C1Br)N)C(F)(F)F)F
• InChI Key: OTYCOVZULSPPPW-UHFFFAOYSA-N
• Boiling Point: 212.553ºC at 760 mmHg
• Flash Point: 82.349ºC
• Density: 1.772g/cm³
• Exact Mass: 256.94600
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• Safety Description: 26-36/37/39

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C7H4BrF4N.

What is the molecular weight of the compound?

The molecular weight of the compound is 258.01 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-bromo-4-fluoro-6-(trifluoromethyl)aniline.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C7H4BrF4N/c8-5-2-3(9)1-4(6(5)13)7(10,11)12/h1-2H,13H2.

What is the InChIKey of the compound?

The InChIKey of the compound is OTYCOVZULSPPPW-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=C(C=C(C(=C1C(F)(F)F)N)Br)F.

What is the CAS number of the compound?

The CAS number of the compound is 875664-27-0.

What is the European Community (EC) number of the compound?

The European Community (EC) number of the compound is 642-501-2.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.9.

Is the compound's molecular weight exact mass or monoisotopic mass?

The compound's molecular weight is both exact mass and monoisotopic mass, with a value of 256.94632 g/mol.