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6-Chloro-2,4-dinitroaniline - 98%, high purity , CAS No.3531-19-9

COA

Grade & Purity:

≥98%

Cas Number: 3531-19-9
Molecular Weight: 217.57
Beilstein Registry Number: 12(1)367
MDL number: MFCD00007147
PubChem CID: 19052

In stock

Item Number

C597610

Grouped product items
SKU	Size	Availability	Price
C597610-5g	5g	2	$10.90
C597610-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$30.90
C597610-100g	100g	2	$60.90
C597610-500g	500g	1	$561.90

Basic Description

Synonyms	2-Chloro-4,6-dinitroaniline \| 3531-19-9 \| 6-Chloro-2,4-dinitroaniline \| (2-chloro-4,6-dinitrophenyl)amine \| Benzenamine, 2-chloro-4,6-dinitro- \| QJ874UC2KK \| 2,4-dinitro-6-chloroaniline \| ANILINE, 6-CHLORO-2,4-DINITRO- \| 6-Chloro-2,4-dinitroanilene \| CCRIS 3112 \| EINECS 222-
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	6-chloro-2,4-dinitroaniline exists in three polymorphic forms which can be separated on the basis of their mechanical properties.

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	Dinitroanilines
Alternative Parents	Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Dinitroaniline - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organic zwitterion - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.
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

IUPAC Name	2-chloro-4,6-dinitroaniline
INCHI	InChI=1S/C6H4ClN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2
InChIKey	LHRIICYSGQGXSX-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)[N+](=O)[O-]
Isomeric SMILES	C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)[N+](=O)[O-]
WGK Germany	2
RTECS	BX1226000
Molecular Weight	217.57
Beilstein	12(1)367
Reaxy-Rn	2463157
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2463157&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
G2320532	Certificate of Analysis	Jun 20, 2023	C597610
G2320514	Certificate of Analysis	Jun 20, 2023	C597610
G2320523	Certificate of Analysis	Jun 20, 2023	C597610
G2320529	Certificate of Analysis	Jun 20, 2023	C597610

Chemical and Physical Properties

Solubility	Insoluble
Melt Point(°C)	157-159 °C (lit.)
Molecular Weight	217.570 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	216.989 Da
Monoisotopic Mass	216.989 Da
Topological Polar Surface Area	118.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	250.000
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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