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MFCD00803371 molecular structure
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1,4-diethenylbenzene; ethenylbenzene; iodobenzene

ChemBase ID: 151696
Molecular Formular: C24H23I
Molecular Mass: 438.34389
Monoisotopic Mass: 438.08444874
SMILES and InChIs

SMILES:
C=Cc1ccccc1.C=Cc1ccc(cc1)C=C.c1ccc(cc1)I
Canonical SMILES:
Ic1ccccc1.C=Cc1ccccc1.C=Cc1ccc(cc1)C=C
InChI:
InChI=1S/C10H10.C8H8.C6H5I/c1-3-9-5-7-10(4-2)8-6-9;1-2-8-6-4-3-5-7-8;7-6-4-2-1-3-5-6/h3-8H,1-2H2;2-7H,1H2;1-5H
InChIKey:
YCGZYUFXRPSAFI-UHFFFAOYSA-N

Cite this record

CBID:151696 http://www.chembase.cn/molecule-151696.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-diethenylbenzene; ethenylbenzene; iodobenzene
IUPAC Traditional name
divinylbenzene; iodophenyl; styrene
Synonyms
poly(iodostyrene)
Iodopolystyrene
聚(碘苯乙烯)
碘代聚苯乙烯
MDL Number
MFCD00803371
PubChem SID
162245846
24880593
PubChem CID
16217250

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
570796 external link Add to cart Please log in.
Data Source Data ID
PubChem 16217250 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.44665  LogD (pH = 7.4) 3.44665 
Log P 3.44665  Molar Refractivity 45.4306 cm3
Polarizability 17.497032 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Crosslinking
1 % cross-linked with divinylbenzene expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 570796 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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