Benzene-1,3,5-tricarboxaldehyde

Product Information

Molecular Formula:
C9H6O3
Molecular Weight:
162.14
Description
Benzene-1,3,5-tricarboxaldehyde (CAS# 3163-76-6) is a useful research chemical.
Synonyms
benzene-1,3,5-tricarbaldehyde
IUPAC Name
benzene-1,3,5-tricarbaldehyde
Canonical SMILES
C1=C(C=C(C=C1C=O)C=O)C=O
InChI
InChI=1S/C9H6O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-6H
InChI Key
AEKQNAANFVOBCU-UHFFFAOYSA-N
Boiling Point
329.3±37.0 °C (Predicted)
Melting Point
156-161 °C
Purity
95 %
Density
1.303±0.06 g/cm3(Predicted)
Appearance
White to almost white powder to crystal
Storage
2-8 °C
LogP
1.12410

Safety Information

Hazards
H302 - H315 - H319 - H335
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
0.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
162.031694049 g/mol
Monoisotopic Mass
162.031694049 g/mol
Topological Polar Surface Area
51.2Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
143
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

Publication Number Title Priority Date
CN-113461933-A Polymer self-supporting nano film, continuous and macro preparation method and application thereof 2021-06-01
CN-112979897-A Preparation method of healable ionic gel polymer electrolyte 2021-03-22
CZ-35223-U1 Organic structures with large surface area and porosity based on plasmon-active metal nanoparticles 2020-11-04
WO-2021246182-A1 Curable resin, curable resin composition, and cured product 2020-06-03
CN-113973496-A Nonlinear optical material, light absorbing material, recording medium, information recording method, and information reading method 2020-05-22
WO-2021235164-A1 Nonlinear optical material, light-absorbing material, recording medium, method for recording information, and method for reading information 2020-05-22
US-2021293756-A1 Molecular sensor, molecular detection device, and molecular detection method 2020-03-17
JP-2022007969-A Molecular sensor, molecular detection device and molecular detection method 2020-03-17
JP-2021142843-A Run flat tire 2020-03-11
JP-2021142844-A Pneumatic tires 2020-03-11

Literatures

PMID Publication Date Title Journal
22606189 2012-04-01 Benzene-1,3,5-tricarbonyl trichloride Acta crystallographica. Section E, Structure reports online
21721558 2011-08-03 Crystalline covalent organic frameworks with hydrazone linkages Journal of the American Chemical Society
20729895 2010-09-01 Triply interlocked covalent organic cages Nature chemistry
18837551 2008-11-06 Chiral iminospherand of a tetrahedral symmetry spontaneously assembled in a [6 + 4] cyclocondensation Organic letters
18075660 2008-01-07 Efficient generation of dendritic arrays of cross-linked hemoglobin: symmetry and redundancy Organic & biomolecular chemistry
11869113 2002-03-07 Toward novel polyacetals by transacetalation techniques: dendrimeric diacetals Organic letters
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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