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12297-72-2 molecular structure
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caesium(1+) ion triiodan-2-uide

ChemBase ID: 134520
Molecular Formular: CsI3
Molecular Mass: 513.61886
Monoisotopic Mass: 513.61887
SMILES and InChIs

SMILES:
[Cs+].[I-](I)I
Canonical SMILES:
I[I-]I.[Cs+]
InChI:
InChI=1S/Cs.I3/c;1-3-2/q+1;-1
InChIKey:
PSDVEXXHXQVSQT-UHFFFAOYSA-N

Cite this record

CBID:134520 http://www.chembase.cn/molecule-134520.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
caesium(1+) ion triiodan-2-uide
IUPAC Traditional name
caesium(1+) ion triiodan-2-uide
Synonyms
Cesium triiodide
三碘化铯
CAS Number
12297-72-2
20202-54-4
MDL Number
MFCD00016053
PubChem SID
162228796
24871883
24880758
PubChem CID
23717889

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23717889 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
Molar Refractivity 40.0224 cm3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 
LogD (pH = 5.5) 2.037316  LogD (pH = 7.4) 2.037316 
Log P 2.037316  Polarizability 17.18739 Å3

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
207 °C(lit.) expand Show data source
Density
4.47 expand Show data source
4.51 g/mL at 25 °C(lit.) 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
22-36/37/38 expand Show data source
36/37/38-42/43 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
H315-H317-H319-H334-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338-P342 + P311 expand Show data source
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
≥99.9% expand Show data source
≥99.99% expand Show data source
98% expand Show data source
Linear Formula
CsI3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 483338 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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