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624-38-4 molecular structure
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1,4-diiodobenzene

ChemBase ID: 70489
Molecular Formular: C6H4I2
Molecular Mass: 329.9049
Monoisotopic Mass: 329.84024613
SMILES and InChIs

SMILES:
c1(ccc(cc1)I)I
Canonical SMILES:
Ic1ccc(cc1)I
InChI:
InChI=1S/C6H4I2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey:
LFMWZTSOMGDDJU-UHFFFAOYSA-N

Cite this record

CBID:70489 http://www.chembase.cn/molecule-70489.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-diiodobenzene
IUPAC Traditional name
1,4-diiodobenzene
Synonyms
1,4-Diiodobenzene
1,4-Diiodobenzene
p-Diiodobenzene
1,4-二碘苯
CAS Number
624-38-4
EC Number
210-842-2
MDL Number
MFCD00001054
Beilstein Number
1904546
PubChem SID
24863703
24851598
162036205
PubChem CID
12208

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8311348  LogD (pH = 7.4) 3.8311348 
Log P 3.8311348  Molar Refractivity 52.783 cm3
Polarizability 20.947104 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
128-132°C expand Show data source
131-133 °C expand Show data source
131-133 °C(lit.) expand Show data source
131-133°C expand Show data source
Boiling Point
285 °C(lit.) expand Show data source
285°C expand Show data source
285°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Light Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% (GC) expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H4I2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05223172 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 193526 external link
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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