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513-92-8 molecular structure
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tetraiodoethene

ChemBase ID: 146381
Molecular Formular: C2I4
Molecular Mass: 531.63928
Monoisotopic Mass: 531.617892
SMILES and InChIs

SMILES:
C(=C(I)I)(I)I
Canonical SMILES:
IC(=C(I)I)I
InChI:
InChI=1S/C2I4/c3-1(4)2(5)6
InChIKey:
ZGQURDGVBSSDNF-UHFFFAOYSA-N

Cite this record

CBID:146381 http://www.chembase.cn/molecule-146381.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetraiodoethene
IUPAC Traditional name
ethene, tetraiodo-
Synonyms
Tetraiodoethylene
四碘乙烯
CAS Number
513-92-8
EC Number
208-176-2
MDL Number
MFCD00001070
PubChem SID
162240579
24859119
PubChem CID
10568

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
318248 external link Add to cart Please log in.
Data Source Data ID
PubChem 10568 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.412186  LogD (pH = 7.4) 5.412186 
Log P 5.412186  Molar Refractivity 82.0146 cm3
Polarizability 26.10193 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
191-193 °C(lit.) expand Show data source
Vapor Density
18.3 (vs air) expand Show data source
RTECS
KX4125000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H315-H319-H332-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Linear Formula
I2C=CI2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 318248 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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