Structure

4-Bromodiphenylamine

CAS
54446-36-5
Catalog Number
ACM54446365-1
Category
Amines
Molecular Weight
248.12
Molecular Formula
C12H10BrN

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Specification

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
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
What is the molecular formula of 4-Bromodiphenylamine?

The molecular formula of 4-Bromodiphenylamine is C12H10BrN.

What is the molecular weight of 4-Bromodiphenylamine?

The molecular weight of 4-Bromodiphenylamine is 248.12 g/mol.

What are some synonyms for 4-Bromodiphenylamine?

Some synonyms for 4-Bromodiphenylamine include 4-bromo-N-phenylaniline and 54446-36-5.

When was 4-Bromodiphenylamine created?

4-Bromodiphenylamine was created on April 28, 2006.

What is the InChIKey of 4-Bromodiphenylamine?

The InChIKey of 4-Bromodiphenylamine is CCIVUDMVXNBUCY-UHFFFAOYSA-N.

What is the CAS number of 4-Bromodiphenylamine?

The CAS number of 4-Bromodiphenylamine is 54446-36-5.

What is the XLogP3 value of 4-Bromodiphenylamine?

The XLogP3 value of 4-Bromodiphenylamine is 3.9.

How many hydrogen bond donor counts does 4-Bromodiphenylamine have?

4-Bromodiphenylamine has 1 hydrogen bond donor count.

What is the exact mass of 4-Bromodiphenylamine?

The exact mass of 4-Bromodiphenylamine is 246.99966 g/mol.

Is 4-Bromodiphenylamine a canonicalized compound?

Yes, 4-Bromodiphenylamine is a canonicalized compound.

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