Phthalaldehyde

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CAS Number

643-79-8

Synonyms

Benzene-1,2-dicarboxaldehyde

MDL Number

MFCD00003335

Purity

98%

Smiles

O=Cc1ccccc1C=O

Storage Conditions

Store at 2-8°C

Chemical Information

Phthalaldehyde

Phthalaldehyde is a dialdehyde in which two formyl groups are attached to adjacent carbon centres on a benzene ring. It has a role as an epitope. It is a member of benzaldehydes and a dialdehyde.

CAS Number	643-79-8
PubChem CID	4807
IUPAC Name	phthalaldehyde
Molecular Formula	C8H6O2
Molecular Weight	134.13
XLogP	1.2
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	115

SMILES

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

InChI

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

InChIKey

ZWLUXSQADUDCSB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 643-79-8

CID: 4807

Formula: C8H6O2

MW: 134.13

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	134.13
XLogP3	1.2
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	115
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

Related Products

Catalog	Name
BIP0693-01	2-Phthaldialdehyde
BIA120-01	2-Phthaldehyde, High purity

Alternative Products

Catalog	Name
HY-W012669	Phthalaldehyde
461338-01	O-Phthalaldehyde
sc-206483B	2-Phthalaldehyde
HY-W738417-01	Phthalaldehyde-d6
HY-W012669R-01	Phthalaldehyde (Standard)
287417-01	Phthalaldehyde discontinued
sc-477956	O-Phthalaldehyde-d6
P17590-01	M-Phthalaldehyde 98%
126745-01	Iso Phthalaldehyde 97.0%
609835-01	O-Phthalaldehyde AR 98.0%

Phthalaldehyde

Chemical Information

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