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2,6-Dichloro-3-nitrotoluene - 98%, high purity , CAS No.29682-46-0

COA

Grade & Purity:

≥98%

Cas Number: 29682-46-0
Molecular Weight: 206.02
Beilstein Registry Number: 5332
MDL number: MFCD00024185
PubChem CID: 97155
PubChem SID: 488187039

In stock

Item Number

D155942

Grouped product items
SKU	Size	Availability	Price
D155942-1g	1g	3	$9.90
D155942-5g	5g	4	$14.90
D155942-25g	25g	2	$54.90
D155942-100g	100g	1	$196.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	MFCD00024185 \| FT-0610570 \| 2,6-Dichloro-3-nitrotoluene \| Benzene, 1,3-dichloro-2-methyl-4-nitro- \| W-106979 \| WBNZUUIFTPNYRN-UHFFFAOYSA- \| AKOS003297896 \| A19664 \| Benzene,1,3-dichloro-2-methyl-4-nitro- \| DTXSID00183842 \| 1,3-Dichloro-2-methyl-4-nitroben
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	2,6-Dichloro-3-nitrotoluene undergoes hydrogenation catalyzed by Platinum nanoparticles to form amines.

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 Dichlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitrotoluene - Nitroaromatic compound - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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	488187039
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187039
IUPAC Name	1,3-dichloro-2-methyl-4-nitrobenzene
INCHI	InChI=1S/C7H5Cl2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3
InChIKey	WBNZUUIFTPNYRN-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1Cl)[N+](=O)[O-])Cl
Isomeric SMILES	CC1=C(C=CC(=C1Cl)[N+](=O)[O-])Cl
WGK Germany	3
Molecular Weight	206.02
Beilstein	5332
Reaxy-Rn	2259855
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2259855&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
F23131026	Certificate of Analysis	Jun 20, 2023	D155942
F23131028	Certificate of Analysis	Jun 20, 2023	D155942
F23131029	Certificate of Analysis	Jun 20, 2023	D155942
F23131027	Certificate of Analysis	Jun 20, 2023	D155942
F2313994	Certificate of Analysis	Jun 20, 2023	D155942
F2313998	Certificate of Analysis	Jun 20, 2023	D155942
F23131025	Certificate of Analysis	Jun 20, 2023	D155942
F23131022	Certificate of Analysis	Jun 20, 2023	D155942

Chemical and Physical Properties

Solubility	Insoluble in water.
Flash Point(°F)	230 °F
Flash Point(°C)	110 °C
Melt Point(°C)	55 °C
Molecular Weight	206.020 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	204.97 Da
Monoisotopic Mass	204.97 Da
Topological Polar Surface Area	45.800 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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