3-Bromo-4,5-difluoroaniline

• CAS: 875664-41-8
• Catalog Number: ACM875664418
• Category: Bromine Series
• Molecular Weight: 208
• Molecular Formula: C₆H₄BrF₂N
• Synonyms: 3-Bromo-4,5-difluoroaniline, 875664-41-8, PubChem10124, 3-bromo-4,5-difluorophenylamine, CTK5F8691, MolPort-001-777-002, 3-Bromo-4,5-difluoro-phenylamine, ACT11529, Benzenamine,3-bromo-4,5-difluoro-, ANW-72498, PC7859, QC-243, SBB093956, ZINC12359164, Benzenamine, 3-bromo-4,5-difluoro-, AKOS005257945, AC-3712, AG-H-53424, AM62125, AS04112
• IUPAC Name: 3-bromo-4,5-difluoroaniline
• Canonical SMILES: C1=C(C=C(C(=C1F)F)Br)N
• InChI Key: GYPOUGZGHDSUKH-UHFFFAOYSA-N
• Boiling Point: 252.8ºC at 760 mmHg
• Melting Point: 66-69ºC
• Flash Point: 106.7ºC
• Density: 1.788g/cm³
• Exact Mass: 206.95000
• Hazard Statements: Xi: Irritant;Xn: Harmful
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Packing Group: III
• Safety Description: 9-26-36/37

Custom Q&A

What is the molecular formula of 3-Bromo-4,5-difluoroaniline?

The molecular formula is C6H4BrF2N.

What is the molecular weight of 3-Bromo-4,5-difluoroaniline?

The molecular weight is 208.00 g/mol.

What is the IUPAC name of 3-Bromo-4,5-difluoroaniline?

The IUPAC name is 3-bromo-4,5-difluoroaniline.

What is the InChI of 3-Bromo-4,5-difluoroaniline?

The InChI is InChI=1S/C6H4BrF2N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2.

What is the InChIKey of 3-Bromo-4,5-difluoroaniline?

The InChIKey is GYPOUGZGHDSUKH-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-4,5-difluoroaniline?

The canonical SMILES is C1=C(C=C(C(=C1F)F)Br)N.

What is the CAS number of 3-Bromo-4,5-difluoroaniline?

The CAS number is 875664-41-8.

What is the European Community (EC) number of 3-Bromo-4,5-difluoroaniline?

The European Community (EC) number is 642-514-3.

What is the DSSTox Substance ID of 3-Bromo-4,5-difluoroaniline?

The DSSTox Substance ID is DTXSID30654737.

What is the XLogP3-AA value of 3-Bromo-4,5-difluoroaniline?

The XLogP3-AA value is 2.1.