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4-Iodoaniline, 98%

CAT: 0804-HY-I0210-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-I0210-01Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4-Iodoaniline is a potent methemoglobin former. 4-Iodoaniline is also an intermediate. 4-Iodoaniline can be used to synthesize glycogen phosphorylase inhibitors. 4-Iodoaniline is used in the research of liver cancer and blood diseases[1][2].
CAS Number
540-37-4
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents; Drug Intermediate
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Cancer; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/4-iodoaniline-98.html
Purity
99.97
Smiles
IC1=CC=C(C=C1)N
Molecular Formula
C6H6IN
Molecular Weight
219.03
Precautions
H302, H315, H319, H335
References & Citations
[2]JUIPRASERT C, et al. SYNTHESIS AND BIOLOGICAL ACTIVITY STUDY OF NEW HYPHODERMIN A DERIVATIVES. Srinakharinwirot University, 2020. |[1]Mahmud R, et al. Structural basis for the haemotoxicity of dapsone: the importance of the sulphonyl group. Toxicology. 1997 Feb 14;117 (1) :1-11.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

4-Iodoaniline

reagent

CAS Number540-37-4
PubChem CID10893
IUPAC Name4-iodoaniline
Molecular FormulaC6H6IN
Molecular Weight219.02
XLogP2.3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity66
SMILES
C1=CC(=CC=C1N)I
InChI
InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChIKey
VLVCDUSVTXIWGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Iodoaniline
CAS: 540-37-4
CID: 10893
Formula: C6H6IN
MW: 219.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.02
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass218.95450
Monoisotopic Mass218.95450
Topological Polar Surface Area26 Ų
Heavy Atom Count8
Formal Charge0
Complexity66.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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