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2-Chloro-4-iodoaniline - >98.0%(GC)(T), high purity , CAS No.42016-93-3

COA

Grade & Purity:

≥98%(GC)(T)

Cas Number: 42016-93-3
Molecular Weight: 253.47
MDL number: MFCD00025298
PubChem CID: 282930
PubChem SID: 488189249

In stock

Item Number

C153882

Grouped product items
SKU	Size	Availability	Price
C153882-1g	1g	5	$11.90
C153882-5g	5g	5	$42.90
C153882-25g	25g	3	$140.90
C153882-100g	100g	1	$463.90
C153882-500g	500g	1	$2,086.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	MFCD00025298 \| Z381786936 \| STK345442 \| 2-chloro-4-iodo-phenylamine \| AM61967 \| C1781 \| FT-0611781 \| AKOS000111245 \| EN300-39014 \| STR06050 \| CCRIS 9438 \| AC-3727 \| BB 0245925 \| NSC 137040 \| NSC137040 \| NSC-137040 \| 2-Chloro-4-iodoaniline \| 2-chloro-4-iod
Specifications & Purity	≥98%(GC)(T)
Storage Temp	Protected from light
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Aniline and substituted anilines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Aniline and substituted anilines
Intermediate Tree Nodes	Not available
Direct Parent	Aniline and substituted anilines
Alternative Parents	Iodobenzenes Chlorobenzenes Aryl iodides Aryl chlorides Primary amines Organopnictogen compounds Organoiodides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aniline or substituted anilines - Chlorobenzene - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Amine - Organochloride - Organohalogen compound - Organoiodide - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488189249
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189249
IUPAC Name	2-chloro-4-iodoaniline
INCHI	InChI=1S/C6H5ClIN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
InChIKey	MYDAOWXYGPEPJT-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1I)Cl)N
Isomeric SMILES	C1=CC(=C(C=C1I)Cl)N
WGK Germany	3
UN Number	2811
Packing Group	III
Molecular Weight	253.47
Reaxy-Rn	2081106
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2081106&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
G2029177	Certificate of Analysis	May 08, 2024	C153882
C2330519	Certificate of Analysis	Dec 10, 2021	C153882

Chemical and Physical Properties

Solubility	DMSO (Slightly), Methanol (Slightly)
Melt Point(°C)	68-72°C
Molecular Weight	253.470 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	252.916 Da
Monoisotopic Mass	252.916 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.100
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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