2,5-Dimethyliodobenzene

CAT: 0127-OR2167-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR2167-01Size:5 g

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CAS Number

1122-42-5

Synonyms

2-Iodo-4-xylene, 1,4-Dimethyl-2-iodobenzene

MDL Number

MFCD00013708

Purity

98%

Smiles

CC1=CC(I)=C(C)C=C1

Chemical Information

Benzene, 2-iodo-1,4-dimethyl-

CAS Number	1122-42-5
PubChem CID	70731
IUPAC Name	2-iodo-1,4-dimethylbenzene
Molecular Formula	C8H9I
Molecular Weight	232.06
XLogP	3.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	90

SMILES

CC1=CC(=C(C=C1)C)I

InChI

InChI=1S/C8H9I/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3

InChIKey

WYZVNUSNUCABRF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1122-42-5

CID: 70731

Formula: C8H9I

MW: 232.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.06
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	231.97490
Monoisotopic Mass	231.97490
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	90.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR24096-01	2,4-Dimethyliodobenzene
OR1079314	5,5'''-Dihexyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1079313	5,5'''-Didecyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1079310	5,5'''-Didodecyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1042721-01	[2,2':5',2''-Terthiophene]-5,5''-dicarboxaldehyde
OR1025484-01	5,5''-Diiodo-2,2':5',2''-Terthiophene
OR92625-01	5,5''-Dibromo-2,2':5',2''-terthiophene
OR1053628-01	2,2,5,5-Tetramethylcyclopentanone
OR1051600	5,5'''-Di-n-octyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1009882-01	2,2,5,5-Tetramethyltetrahydrofuran

Catalog	Name
D41650	2 3-Dimethyliodobenzene
D41655	3 4-Dimethyliodobenzene
I8300-01	3,4-Dimethyliodobenzene
sc-227020	5,5''-Dibromo-2,2':5',2''-terthiophene
sc-477057	2,2':5',2''-Terthiophene-5,5''-dicarboxaldehyde
FT172401-01	2,2,5,5-Tetramethyloxolane
JH160241	2,2',5,5'-Tetrachlorobenzidine
sc-265954	2,2',5,5'-Tetramethylbiphenyl
sc-474109	2,2′:5′,2′′:5′′,2′′′-Quaterthiophene
FT170758-01	2,2',5,5'-Tetrachlorobiphenyl