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51792-34-8 molecular structure
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3,4-dimethoxythiophene

ChemBase ID: 67088
Molecular Formular: C6H8O2S
Molecular Mass: 144.19152
Monoisotopic Mass: 144.0245005
SMILES and InChIs

SMILES:
c1c(c(cs1)OC)OC
Canonical SMILES:
COc1cscc1OC
InChI:
InChI=1S/C6H8O2S/c1-7-5-3-9-4-6(5)8-2/h3-4H,1-2H3
InChIKey:
ZUDCKLVMBAXBIF-UHFFFAOYSA-N

Cite this record

CBID:67088 http://www.chembase.cn/molecule-67088.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,4-dimethoxythiophene
IUPAC Traditional name
3,4-dimethoxythiophene
Synonyms
3,4-Dimethoxythiophene
3,4-Dimethoxythiophene
3,4-二甲氧基噻吩
CAS Number
51792-34-8
MDL Number
MFCD01096546
PubChem SID
24884971
162032824
PubChem CID
3613501

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4383452  LogD (pH = 7.4) 1.4383452 
Log P 1.4383452  Molar Refractivity 36.0902 cm3
Polarizability 14.042903 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
100-102 °C/10-11 mmHg expand Show data source
100-102°C/10mm expand Show data source
100-102°C/10-11mm expand Show data source
Flash Point
106 °C expand Show data source
106.7°C expand Show data source
106°C(223°F) expand Show data source
222.8 °F expand Show data source
Density
1.209 expand Show data source
1.209 g/mL at 25 °C expand Show data source
Refractive Index
1.5409 expand Show data source
n20/D 1.5409 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Store at -20°C expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
Safety Statements
23-36-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301 expand Show data source
H302 expand Show data source
GHS Precautionary statements
P264-P270-P301+P310-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C6H8O2S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 668257 external link
Application
Building block in the synthesis of an N2S2-N4 porphyrin dyad used to study photoinduced energy transfer.1
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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