3,5-Dibromobenzaldehyde

Product Information

Molecular Formula:
C7H4Br2O
Molecular Weight:
263.91
Description
3,5-Dibromobenzaldehyde (CAS# 56990-02-4) is a dibrominated benzaldehyde that is a very useful building block for the preparation of a wide range of biologically active compounds such as a antibacterials.
Synonyms
3,5-dibromobenzaldehyde
IUPAC Name
3,5-dibromobenzaldehyde
Canonical SMILES
C1=C(C=C(C=C1Br)Br)C=O
InChI
InChI=1S/C7H4Br2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
InChI Key
ZLDMZIXUGCGKMB-UHFFFAOYSA-N
Boiling Point
287.221 °C at 760 mmHg
Melting Point
84-88 °C
Purity
> 97.0 % (GC)
Density
1.977 g/cm3
Appearance
White powder
LogP
3.02410

Safety Information

Hazards
H314
Precautionary Statement
P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P332+P313, P337+P313, P362, P363, P405, and P501
Signal Word
Danger

Computed Properties

XLogP3
2.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
263.86084 g/mol
Monoisotopic Mass
261.86289 g/mol
Topological Polar Surface Area
17.1Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
117
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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