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3437-95-4 molecular structure
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2-iodothiophene

ChemBase ID: 8909
Molecular Formular: C4H3IS
Molecular Mass: 210.03609
Monoisotopic Mass: 209.9000191
SMILES and InChIs

SMILES:
Ic1sccc1
Canonical SMILES:
Ic1cccs1
InChI:
InChI=1S/C4H3IS/c5-4-2-1-3-6-4/h1-3H
InChIKey:
ROIMNSWDOJCBFR-UHFFFAOYSA-N

Cite this record

CBID:8909 http://www.chembase.cn/molecule-8909.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-iodothiophene
IUPAC Traditional name
2-iodothiophene
Synonyms
2-Iodothiophene
2-Iodothiophene
2-Thienyl iodide
2-碘噻吩
CAS Number
3437-95-4
EC Number
222-342-1
MDL Number
MFCD00005424
Beilstein Number
104666
PubChem SID
24851738
160972216
PubChem CID
18921

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8486283  LogD (pH = 7.4) 2.8486283 
Log P 2.8486283  Molar Refractivity 35.6862 cm3
Polarizability 14.363987 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
-40 °C(lit.) expand Show data source
-40°C expand Show data source
-40°C expand Show data source
Boiling Point
182°C expand Show data source
73 °C/15 mmHg(lit.) expand Show data source
73°C/15mm expand Show data source
Flash Point
170.6 °F expand Show data source
71°C expand Show data source
71°C(159°F) expand Show data source
77 °C expand Show data source
Density
1.902 expand Show data source
1.902 g/mL at 25 °C(lit.) expand Show data source
2.064 expand Show data source
Refractive Index
1.651 expand Show data source
1.6520 expand Show data source
n20/D 1.651(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
Light Sensitive 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
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/38 expand Show data source
22-37/38-41-43 expand Show data source
Safety Statements
26-36/37 expand Show data source
26-36/37/39 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H311-H332-H315-H319-H227 expand Show data source
H302-H315-H317-H318-H335 expand Show data source
GHS Precautionary statements
P210-P301+P310-P305+P351+P338-P361-P405-P501A expand Show data source
P261-P280-P305 + P351 + P338 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
2-8°C expand Show data source
Purity
97% expand Show data source
98% expand Show data source
98%, stab. with copper expand Show data source
Certificate of Analysis
Download expand Show data source
Contains
copper as stabilizer expand Show data source
Empirical Formula (Hill Notation)
C4H3IS expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05215201 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 196150 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • In contrast to 2-Bromothiophene, A11959 which requires a copper catalyst, reaction with a variety of thiols, including Thiophene-2-thiol, B22642 to give 2,2'-dithienyl sulfide, proceeds in high yield in the absence of catalyst, base or solvent: Tetrahedron Lett., 36, 8439 (1995).
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PATENTS

PATENTS

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INTERNET

INTERNET

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