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3001-15-8

3001-15-8 | 4,4'-Diiodo-1,1'-biphenyl

CAS No: 3001-15-8 Catalog No: AG003KDQ MDL No:MFCD00001057

Product Description

Catalog Number:
AG003KDQ
Chemical Name:
4,4'-Diiodo-1,1'-biphenyl
CAS Number:
3001-15-8
Molecular Formula:
C12H8I2
Molecular Weight:
406.0009
MDL Number:
MFCD00001057
IUPAC Name:
1-iodo-4-(4-iodophenyl)benzene
InChI:
InChI=1S/C12H8I2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChI Key:
GPYDMVZCPRONLW-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)c1ccc(cc1)I
EC Number:
221-080-5

Properties

Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.872g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.005g/mol
Monoisotopic Mass:
405.872g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  

Literature

Title Journal
Selective synthesis and crystal structure of [10]cycloparaphenylene. Organic letters 20120706
{2-[(Benzylphenyl-phosphanyl-κP)methyl]phenyl-κC}iodidobis(trimethyl-phos-phane)cobalt(II). Acta crystallographica. Section E, Structure reports online 20110701
Hybrid cavitand capsule with hydrogen bonds and metal-ligand coordination bonds: guest encapsulation with anion assistance. Journal of the American Chemical Society 20090729
Torsion sensitivity in NMR of aligned molecules: study on various substituted biphenyls. Magnetic resonance in chemistry : MRC 20080201
Modulation at a cellular level of the thyroid hormone receptor-mediated gene expression by 1,2,5,6,9,10-hexabromocyclododecane (HBCD), 4,4'-diiodobiphenyl (DIB), and nitrofen (NIP). Toxicology letters 20050115

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