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288-05-1 molecular structure
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selenophene

ChemBase ID: 145623
Molecular Formular: C4H4Se
Molecular Mass: 131.03456
Monoisotopic Mass: 131.94782113
SMILES and InChIs

SMILES:
c1cc[se]c1
Canonical SMILES:
c1ccc[se]1
InChI:
InChI=1S/C4H4Se/c1-2-4-5-3-1/h1-4H
InChIKey:
MABNMNVCOAICNO-UHFFFAOYSA-N

Cite this record

CBID:145623 http://www.chembase.cn/molecule-145623.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
selenophene
IUPAC Traditional name
selenophene
Synonyms
Selenophene
硒吩
CAS Number
288-05-1
MDL Number
MFCD00075487
PubChem SID
162239828
24862395
PubChem CID
136130

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
367141 external link Add to cart Please log in.
Data Source Data ID
PubChem 136130 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4805  LogD (pH = 7.4) 1.4805 
Log P 1.4805  Molar Refractivity 30.5229 cm3
Polarizability 6.3683996 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-30 °C(lit.) expand Show data source
Boiling Point
110-111 °C(lit.) expand Show data source
Flash Point
26.6 °F expand Show data source
-3 °C expand Show data source
Density
1.423 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.58(lit.) expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
23/25-33-50/53 expand Show data source
Safety Statements
20/21-28-45-60-61 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H301-H331-H373-H410 expand Show data source
GHS Precautionary statements
P210-P261-P273-P301 + P310-P311-P501 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
RID/ADR
UN 1993 3/PG 2 expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C4H4Se expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 367141 external link
Packaging
1, 5 g in ampule
Application
Building block for electrically conducting polyalkyl selenophene.1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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