CAS 623-27-8|p-PHTHALALDEHYDE|1,4-benzenedicarboxaldehyde|benzene-1,4-dicarbaldehyde|Terephthalaldehyde 99%|对苯二甲醛|对酞醛|Terephthalaldehyde|Terephthaldicarboxaldehyde|1,4-苯二甲醛|Benzene-1,4-d...

General Information

Structure

Molecular Formula

C₈H₆O₂

Molecular Mass

134.13204

Exact Mass

134.03677943

Charge

InChI

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

InChIKey

KUCOHFSKRZZVRO-UHFFFAOYSA-N

Canonic Smiles

O=Cc1ccc(cc1)C=O

Isomeric Smiles

O=Cc1ccc(cc1)C=O

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.3982505

LogD (pH = 7.4)

1.3982505

Log P

1.3982505

Molar Refractivity

39.226

Polarizability

14.114897

Polar Surface Area

34.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1,4-benzenedicarboxaldehyde

Synonyms

p-PHTHALALDEHYDETerephthalaldehyde 99%Terephthalaldehyde对苯二甲醛对酞醛Benzene-1,4-dicarboxaldehydeTerephthaldicarboxaldehyde1,4-苯二甲醛TerephthalaldehydeNSC 13395p-Benzenedicarboxaldehyde1,4-Benzenedicarboxaldehydep-Diformylbenzenep-Formylbenzaldehydep-Benzenedialdehyde4-FormylbenzaldehydeTerephthalic Aldehyde1,4-Diformylbenzenep-Phthaldialdehyde1,4-Benzenedialdehyde1,4-Terephthaldicarbaldehyde1,4-Benzenedicarbaldehyde

IUPAC name

benzene-1,4-dicarbaldehyde

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

Beilstein Number