Terephthalaldehyde

CAT: 0203-32723-92Size: 25 gDry Ice: NoHazardous: No

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CAT#:0203-32723-92Size:25 g

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CAS Number

623-27-8

Purity

≧ 98.0% (GC)

Storage Conditions

Room Temperature

Grade

EP (Extra Pure Reagent)

Chemical Information

Terephthalaldehyde

CAS Number	623-27-8
PubChem CID	12173
IUPAC Name	terephthalaldehyde
Molecular Formula	C8H6O2
Molecular Weight	134.13
XLogP	0.9
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	107

SMILES

C1=CC(=CC=C1C=O)C=O

InChI

InChI=1S/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H

InChIKey

KUCOHFSKRZZVRO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 623-27-8

CID: 12173

Formula: C8H6O2

MW: 134.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	134.13
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	134.036779430
Monoisotopic Mass	134.036779430
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	107
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

Catalog	Name
32735-42	Terephthalaldehydic Acid
07092-42	Terephthalaldehydic Acid Methyl Ester

Catalog	Name
HY-Y0425-01	Terephthalaldehyde
OR1043807-01	Terephthalaldehyde dioxime
237525-01	Terephthalaldehyde for Synthesis 97.5%
sc-474860	Terephthalaldehyde Bis (diethyl Acetal)
PC1014535-01	2-Fluoro-3- (methylthio) terephthalaldehyde
OR1068546-01	2,5-Bis (methylthio) terephthalaldehyde
OR1068514-01	2,5-Bis (dodecyloxy) terephthalaldehyde
OR1043138-01	2,5-Bis (heptyloxy) terephthalaldehyde
OR1060365-01	2,5-Bis (pentyloxy) terephthalaldehyde
OR1032261-01	2,5-Bis (allyloxy) terephthalaldehyde