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2-CHLORO-5-NITRO-M-XYLENE - ≥97%, high purity , CAS No.38560-96-2

COA

Grade & Purity:

≥97%

Cas Number: 38560-96-2
Molecular Weight: 185.6
PubChem CID: 9920569

In stock

Item Number

C710412

Grouped product items
SKU	Size	Availability	Price	Qty
C710412-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$229.90
C710412-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$563.90

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 m-Xylenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrotoluene - Nitrobenzene - Nitroaromatic compound - M-xylene - Xylene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - 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

IUPAC Name	2-chloro-1,3-dimethyl-5-nitrobenzene
INCHI	InChI=1S/C8H8ClNO2/c1-5-3-7(10(11)12)4-6(2)8(5)9/h3-4H,1-2H3
InChIKey	XOTLSEJRAUKAPO-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=C1Cl)C)[N+](=O)[O-]
Isomeric SMILES	CC1=CC(=CC(=C1Cl)C)[N+](=O)[O-]
PubChem CID	9920569
Molecular Weight	185.6

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	185.610 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	185.024 Da
Monoisotopic Mass	185.024 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	168.000
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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