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3001-15-8 molecular structure
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1-iodo-4-(4-iodophenyl)benzene

ChemBase ID: 11742
Molecular Formular: C12H8I2
Molecular Mass: 406.00086
Monoisotopic Mass: 405.87154626
SMILES and InChIs

SMILES:
c1c(ccc(c1)c1ccc(cc1)I)I
Canonical SMILES:
Ic1ccc(cc1)c1ccc(cc1)I
InChI:
InChI=1S/C12H8I2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKey:
GPYDMVZCPRONLW-UHFFFAOYSA-N

Cite this record

CBID:11742 http://www.chembase.cn/molecule-11742.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-iodo-4-(4-iodophenyl)benzene
IUPAC Traditional name
1-iodo-4-(4-iodophenyl)benzene
Synonyms
4,4'-Diiodobiphenyl
4,4′-Diiodobiphenyl
4,4'-Diiodobiphenyl
4,4'-DIIODODOPHENYL, PRACT
4,4′-二碘联苯
4,4'-二碘联苯
CAS Number
3001-15-8
EC Number
221-080-5
MDL Number
MFCD00001057
PubChem SID
24893379
160975049
PubChem CID
76348

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.47836  LogD (pH = 7.4) 5.47836 
Log P 5.47836  Molar Refractivity 77.9192 cm3
Polarizability 31.403795 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
201-204 °C(lit.) expand Show data source
201-204°C expand Show data source
205-207°C expand Show data source
205-211°C expand Show data source
Storage Warning
Irritant expand Show data source
LIGHT SENSITIVE expand Show data source
Light Sensitive expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
3152 expand Show data source
UN3152 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
Hazard Class
9 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
20/21/22 expand Show data source
52/53 expand Show data source
Safety Statements
36 expand Show data source
61 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332 expand Show data source
H402-H412 expand Show data source
GHS Precautionary statements
P273-P501A expand Show data source
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3152 9/PG 2 expand Show data source
Purity
90% expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
IC6H4C6H4I expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05208036 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D122408 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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