4-Bromodiphenylamine

• Catalog Number: ACM54446365-1
• Product Name: 4-Bromodiphenylamine
• CAS: 54446-36-5
• Category: Amines
• Synonyms: (4-BROMO-PHENYL)-PHENYL-AMINE;4-BROMODIPHENYLAMINE;1-(4-BROMOPHENYL)ANILINE;N-PHENYL-4-BROMOANILINE;1-(4-BromophenChemicalbookyl)aniline,N-phenyl-4-bromoaniline;4-Bromo-N-phenylbenzenamine;4-Bromo-N-phenylaniline;N-(4-Bromophenyl)benzenamine
• IUPAC Name: 4-bromo-N-phenylaniline
• Molecular Weight: 248.12
• Molecular Formula: C12H10BrN
• Canonical SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)Br
• InChI: InChI=1S/C12H10BrN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H
• InChI Key: CCIVUDMVXNBUCY-UHFFFAOYSA-N
• Boiling Point: 85 - 89 °C
• Melting Point: 318 °C
• Density: 1.445 ± 0.06 g/ml
• Complexity: 158
• Covalently-Bonded Unit Count: 1
• Exact Mass: 246.99966g/mol
• Formal Charge: 0
• Hazard Statements: H302-H319
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 14
• Monoisotopic Mass: 246.99966g/mol
• RIDADR: UN 2811 6.1 / PGIII
• Rotatable Bond Count: 2
• Symbol: GHS07
• XLogP3: 3.9

Custom Q&A

What is the molecular formula of 4-Bromodiphenylamine?

The molecular formula is C12H10BrN.

What is the molecular weight of 4-Bromodiphenylamine?

The molecular weight is 248.12 g/mol.

What is the IUPAC name of 4-Bromodiphenylamine?

The IUPAC name is 4-bromo-N-phenylaniline.

What is the InChI of 4-Bromodiphenylamine?

The InChI is InChI=1S/C12H10BrN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H.

What is the InChIKey of 4-Bromodiphenylamine?

The InChIKey is CCIVUDMVXNBUCY-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Bromodiphenylamine?

The Canonical SMILES is C1=CC=C(C=C1)NC2=CC=C(C=C2)Br.

What is the CAS number of 4-Bromodiphenylamine?

The CAS number is 54446-36-5.

What is the European Community (EC) Number of 4-Bromodiphenylamine?

The European Community (EC) Number is 626-191-6.

What is the XLogP3 value of 4-Bromodiphenylamine?

The XLogP3 value is 3.9.

Is 4-Bromodiphenylamine a canonicalized compound?

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