2,4-Dimethyliodobenzene

CAT: 0127-OR24096-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR24096-01Size:25 g

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CAS Number

4214-28-2

Synonyms

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

MDL Number

MFCD00013706

Purity

98%

Smiles

Cc1ccc(I)c(C)c1

Storage Conditions

Store at 2-8°C

Chemical Information

4-Iodo-m-xylene

CAS Number	4214-28-2
PubChem CID	77885
IUPAC Name	1-iodo-2,4-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)I)C

InChI

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

InChIKey

BUNKQJAMHYKQIM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4214-28-2

CID: 77885

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
OR2167-01	2,5-Dimethyliodobenzene
PC1008376-01	2,2,2-Trifluoroethyl 4,4,4-trifluorobutyrate
OR1004938-01	2,2',4,4'-Tetranitrodiphenylmethane
OR948311	2,2,4,4-Tetramethylcyclopentanone
OR1055271-01	2,2,4,4-Tetrachlorodibenzylether
OR1026768-01	2,2,4,4-Tetramethylpentane
PC450330	2,2,3,3,4,4,4-Heptafluorobutyl 2,2,3,4,4,4-hexafluorobutyl carbonate
PC107392	4- (2,2,3,4,4,4-Hexafluorobutoxy) -N- (2,2,2-trifluoroethyl) aniline
PC106859	2,2,3,4,4,4-Hexafluorobutoxybenzene
OR84284-01	4,4',4''-Trimethyl-2,2':6',2''-terpyridine

Catalog	Name
D41655	3 4-Dimethyliodobenzene
I8300-01	3,4-Dimethyliodobenzene
D41650	2 3-Dimethyliodobenzene
FT66823-01	2,2',4,4'-Tetramethylbenzophenone
T3000	2,2’,4,4’-Tetranitrobenzophenone
419555-01	2,2′,4,4′-Tetrahydroxybenzophenone
290091-01	2,2',4,4'-Tetranitrodiphenylmethane
290090-01	2,2',4,4'-Tetranitrobenzophenone
AR-O01033-01	2,2,4,4-Tetramethyloctane
AR-M03599-01	2,2,4,4-Tetrachlorodibenzylether