Home > Compound List > Compound details
7310-97-6 molecular structure
click picture or here to close

2,5-dimethoxybenzene-1,4-dicarbaldehyde

ChemBase ID: 80253
Molecular Formular: C10H10O4
Molecular Mass: 194.184
Monoisotopic Mass: 194.0579088
SMILES and InChIs

SMILES:
O=Cc1c(cc(c(c1)OC)C=O)OC
Canonical SMILES:
COc1cc(C=O)c(cc1C=O)OC
InChI:
InChI=1S/C10H10O4/c1-13-9-3-8(6-12)10(14-2)4-7(9)5-11/h3-6H,1-2H3
InChIKey:
YSIIHTHHMPYKFP-UHFFFAOYSA-N

Cite this record

CBID:80253 http://www.chembase.cn/molecule-80253.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dimethoxybenzene-1,4-dicarbaldehyde
IUPAC Traditional name
2,5-dimethoxybenzene-1,4-dicarbaldehyde
Synonyms
2,5-dimethoxyterephthalaldehyde
2,5-Dimethoxybenzene-1,4-dicarboxaldehyde
2,5-二甲氧基苯-1,4-二甲醛
CAS Number
7310-97-6
MDL Number
MFCD00017606
PubChem SID
162067373
PubChem CID
606648

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 606648 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0829079  LogD (pH = 7.4) 1.0829079 
Log P 1.0829079  Molar Refractivity 52.1524 cm3
Polarizability 19.196074 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
209-213 °C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C10H10O4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 715026 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle