Benzene-1,3,5-tricarboxaldehyde - CAS 3163-76-6

Name: Benzene-1,3,5-tricarboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021009
Product Name:	Benzene-1,3,5-tricarboxaldehyde
CAS:	3163-76-6
Synonyms:	benzene-1,3,5-tricarbaldehyde

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Computed Properties

IUPAC Name:	benzene-1,3,5-tricarbaldehyde
Description:	Benzene-1,3,5-tricarboxaldehyde (CAS# 3163-76-6) is a useful research chemical.
Molecular Weight:	162.14
Molecular Formula:	C9H6O3
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
MDL:	MFCD00182470
LogP:	1.12410

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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

Publication Number	Title	Priority Date
CN-113461933-A	Polymer self-supporting nano film, continuous and macro preparation method and application thereof	20210601
CN-112979897-A	Preparation method of healable ionic gel polymer electrolyte	20210322
US-2021293756-A1	Molecular sensor, molecular detection device, and molecular detection method	20200317
JP-2021142843-A	Run flat tire	20200311
JP-2021142844-A	Pneumatic tires	20200311

PMID	Publication Date	Title	Journal
22606189	20120401	Benzene-1,3,5-tricarbonyl trichloride	Acta crystallographica. Section E, Structure reports online
21721558	20110803	Crystalline covalent organic frameworks with hydrazone linkages	Journal of the American Chemical Society
20729895	20100901	Triply interlocked covalent organic cages	Nature chemistry
18837551	20081106	Chiral iminospherand of a tetrahedral symmetry spontaneously assembled in a [6 + 4] cyclocondensation	Organic letters
18075660	20080107	Efficient generation of dendritic arrays of cross-linked hemoglobin: symmetry and redundancy	Organic & biomolecular chemistry

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.031694049
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	162.031694049
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3