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2,6-Dimethylnitrobenzene - 98%, high purity , CAS No.81-20-9

3 Citations

COA

Grade & Purity:

≥98%

Cas Number: 81-20-9
Molecular Weight: 151.16
Beilstein Registry Number: 2046066
EC Number: 201-333-6
MDL number: MFCD00007181
PubChem CID: 6672
PubChem SID: 488180128

In stock

Item Number

D105683

Grouped product items
SKU	Size	Availability	Price
D105683-5g	5g	5	$9.90
D105683-25g	25g	5	$24.90
D105683-100g	100g	3	$88.90
D105683-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$400.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	1,3-Dimethyl-2-nitrobenzene \| FT-0613199 \| AKOS015833491 \| SCHEMBL17347341 \| 2,6-Dimethy Nitrobenzene \| D0273 \| NCGC00091683-02 \| UNII-6G9386D931 \| 1,3-Dimethyl-2-nitrobenzene 100 microg/mL in Methanol \| EINECS 201-333-6 \| m-Xylene, 2-nitro- \| WLN: WNR B1
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Application： 2-Nitro-m-xylene is employed as a pharmaceutical intermediate in organic synthesis. It is also used in the preparation of Direct Violet 7 and solvent Red 26. Further, it is used in the petrochemical industry.

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 Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitrotoluene - Nitroaromatic compound - M-xylene - Xylene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - 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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488180128
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180128
IUPAC Name	1,3-dimethyl-2-nitrobenzene
INCHI	InChI=1S/C8H9NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3
InChIKey	HDFQKJQEWGVKCQ-UHFFFAOYSA-N
Smiles	CC1=C(C(=CC=C1)C)[N+](=O)[O-]
Isomeric SMILES	CC1=C(C(=CC=C1)C)[N+](=O)[O-]
WGK Germany	3
RTECS	ZE4686000
UN Number	1665
Packing Group	II
Molecular Weight	151.16
Beilstein	2046066
Reaxy-Rn	2046066
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046066&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

14 results found

Lot Number	Certificate Type	Date	Item
F2108055	Certificate of Analysis	Mar 04, 2025	D105683
F2108091	Certificate of Analysis	Mar 04, 2025	D105683
F2108092	Certificate of Analysis	Mar 04, 2025	D105683
F2108096	Certificate of Analysis	Mar 04, 2025	D105683
E2308571	Certificate of Analysis	Apr 17, 2023	D105683
E2308465	Certificate of Analysis	Apr 17, 2023	D105683
B2320331	Certificate of Analysis	Jan 06, 2023	D105683
B2320338	Certificate of Analysis	Jan 06, 2023	D105683
B2320357	Certificate of Analysis	Jan 06, 2023	D105683
B2320346	Certificate of Analysis	Jan 06, 2023	D105683
B2320367	Certificate of Analysis	Jan 06, 2023	D105683
B2320319	Certificate of Analysis	Jan 06, 2023	D105683
I2209210	Certificate of Analysis	Jul 18, 2022	D105683
I2209207	Certificate of Analysis	Jul 18, 2022	D105683

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Chemical and Physical Properties

Solubility	Miscible with ethanol. Immiscible with water.
Refractive Index	1.52
Flash Point(°F)	190.4 °F
Flash Point(°C)	88 °C
Boil Point(°C)	222°C
Melt Point(°C)	14-16 °C
Molecular Weight	151.160 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	151.063 Da
Monoisotopic Mass	151.063 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	143.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Jiale Wu, Liguo Wang, Shuang Xu, Yan Cao, Ziqiang Han, Huiquan Li. (2023) Sequential hydrogenation of nitroaromatics to alicyclic amines via highly-dispersed Ru–Pd nanoparticles anchored on air-exfoliated C3N4 nanosheets. RSC Advances, 13 (3): (2024-2035).
2. Peilian Liu, Bowen Li, Chenyue Zhan, Fang Zeng, Shuizhu Wu. (2017) A two-photon-activated prodrug for therapy and drug release monitoring. Journal of Materials Chemistry B, 5 (36): (7538-7546).
3. Jiale Wu, Jiajun Zhang, Liguo Wang, Ziqiang Han, Xiang Hui, Yan Cao, Jianhui Shi, Shuang Xu, Peng He, Huiquan Li. (2024) Enhanced tandem hydrogenation of nitroaromatics to alicyclic amines via Pt-Ru synergistic catalysis. CHEMICAL ENGINEERING JOURNAL, 488 (151083).

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