4-Bromo-2,5-difluoronitrobenzene

• Catalog Number: ACM167415272
• Product Name: 4-Bromo-2,5-difluoronitrobenzene
• CAS: 167415-27-2
• Category: Bromine Series
• Synonyms: ZINC00160132, CID2736286, 167415-27-2
• IUPAC Name: 1-bromo-2,5-difluoro-4-nitrobenzene
• Molecular Weight: 237.99
• Molecular Formula: C₆H₂BrF₂NO₂
• Canonical SMILES: C1=C(C(=CC(=C1F)Br)F)[N+](=O)[O-]
• InChI Key: GJFYMYJYPARISZ-UHFFFAOYSA-N
• Boiling Point: 262.4ºC at 760mmHg
• Melting Point: 55ºC
• Flash Point: 112.5ºC
• Density: 1.89g/cm³
• Exact Mass: 236.92400
• Hazard Statements: Xi: Irritant;T: Toxic
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Safety Description: S26-S36/37/39

Custom Q&A

What is the molecular formula of 4-Bromo-2,5-difluoronitrobenzene?

The molecular formula of 4-Bromo-2,5-difluoronitrobenzene is C6H2BrF2NO2.

What is the molecular weight of 4-Bromo-2,5-difluoronitrobenzene?

The molecular weight of 4-Bromo-2,5-difluoronitrobenzene is 237.99 g/mol.

What is the IUPAC name of 4-Bromo-2,5-difluoronitrobenzene?

The IUPAC name of 4-Bromo-2,5-difluoronitrobenzene is 1-bromo-2,5-difluoro-4-nitrobenzene.

What is the InChI of 4-Bromo-2,5-difluoronitrobenzene?

The InChI of 4-Bromo-2,5-difluoronitrobenzene is InChI=1S/C6H2BrF2NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H.

What is the InChIKey of 4-Bromo-2,5-difluoronitrobenzene?

The InChIKey of 4-Bromo-2,5-difluoronitrobenzene is GJFYMYJYPARISZ-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromo-2,5-difluoronitrobenzene?

The canonical SMILES of 4-Bromo-2,5-difluoronitrobenzene is C1=C(C(=CC(=C1F)Br)F)[N+](=O)[O-].

What is the CAS number of 4-Bromo-2,5-difluoronitrobenzene?

The CAS number of 4-Bromo-2,5-difluoronitrobenzene is 167415-27-2.

What is the EPA DSSTox Substance ID of 4-Bromo-2,5-difluoronitrobenzene?

The EPA DSSTox Substance ID of 4-Bromo-2,5-difluoronitrobenzene is DTXSID20371249.

What is the XLogP3-AA value of 4-Bromo-2,5-difluoronitrobenzene?

The XLogP3-AA value of 4-Bromo-2,5-difluoronitrobenzene is 2.6.

Is 4-Bromo-2,5-difluoronitrobenzene a canonicalized compound?

Yes, 4-Bromo-2,5-difluoronitrobenzene is a canonicalized compound.