CAS 698-70-4 | 4-Iodo-N,N-dimethylaniline | CAS Number 698-70-4

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698-70-4 | 4-Iodo-N,N-dimethylaniline

CAS No: 698-70-4 Catalog No: AG005HB1 MDL No:MFCD00457548

Product Description

Catalog Number:

AG005HB1

Chemical Name:

4-Iodo-N,N-dimethylaniline

CAS Number:

698-70-4

Molecular Formula:

C8H10IN

Molecular Weight:

247.0762

MDL Number:

MFCD00457548

IUPAC Name:

4-iodo-N,N-dimethylaniline

InChI:

InChI=1S/C8H10IN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3

InChI Key:

QYOPPZJZMFMBDN-UHFFFAOYSA-N

SMILES:

CN(c1ccc(cc1)I)C

NSC Number:

223072

Properties

Complexity:

95.4

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.986g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.079g/mol

Monoisotopic Mass:

246.986g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

3.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
A novel approach for the simultaneous determination of iodide, iodate and organo-iodide for 127I and 129I in environmental samples using gas chromatography-mass spectrometry.	Environmental science & technology 20101201
Extensive evaluation of a diffusion denuder technique for the quantification of atmospheric stable and radioactive molecular iodine.	Environmental science & technology 20100701
Single drop microextraction or solid phase microextraction-gas chromatography-mass spectrometry for the determination of iodine in pharmaceuticals, iodized salt, milk powder and vegetables involving conversion into 4-iodo-N,N-dimethylaniline.	Journal of chromatography. A 20040109