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5-Chloro-2-methyl-3-nitroaniline - 97%, high purity , CAS No.219312-44-4

COA

Grade & Purity:

≥97%

Cas Number: 219312-44-4
Molecular Weight: 186.6
PubChem CID: 2749345
PubChem SID: 488192953

In stock

Item Number

C501284

Grouped product items
SKU	Size	Availability	Price
C501284-100mg	100mg	5	$134.90
C501284-250mg	250mg	5	$234.90
C501284-1g	1g	5	$567.90
C501284-5g	5g	2	$2,000.90

Basic Description

Synonyms	5-chloro-2-methyl-3-nitroaniline \| 219312-44-4 \| 2-Amino-4-chloro-6-nitrotoluene \| MFCD01109853 \| SCHEMBL3611223 \| AMY7261 \| DTXSID50372769 \| KBFNZWHWSZUQNI-UHFFFAOYSA-N \| 2-amino-4-chloro-6-nitro-toluene \| 5-chloro-2-methyl-3-nitro-aniline \| 5-chloro-2-methyl-3-nitrobenzena
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Nitrotoluenes Nitroaromatic compounds Aniline and substituted anilines Aminotoluenes 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	Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Aminotoluene - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - 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 nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing 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

Pubchem Sid	488192953
IUPAC Name	5-chloro-2-methyl-3-nitroaniline
INCHI	InChI=1S/C7H7ClN2O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,9H2,1H3
InChIKey	KBFNZWHWSZUQNI-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1[N+](=O)[O-])Cl)N
Isomeric SMILES	CC1=C(C=C(C=C1[N+](=O)[O-])Cl)N
Molecular Weight	186.6
Reaxy-Rn	3257715
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3257715&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
C2323867	Certificate of Analysis	Dec 30, 2022	C501284
C2323873	Certificate of Analysis	Dec 30, 2022	C501284
C23231023	Certificate of Analysis	Dec 30, 2022	C501284
C2323830	Certificate of Analysis	Dec 30, 2022	C501284
C2323956	Certificate of Analysis	Dec 30, 2022	C501284
C2323899	Certificate of Analysis	Dec 30, 2022	C501284
C2323853	Certificate of Analysis	Dec 30, 2022	C501284
C2521366	Certificate of Analysis	Dec 30, 2022	C501284

Chemical and Physical Properties

Sensitivity	Light sensitive
Boil Point(°C)	333.4±37.0°C at 760 mmHg
Molecular Weight	186.590 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	186.02 Da
Monoisotopic Mass	186.02 Da
Topological Polar Surface Area	71.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	183.000
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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