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4-Nitro-O-Xylene - 99%, high purity , CAS No.99-51-4

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4-Nitro-O-Xylene - 99%, high purity , CAS No.99-51-4

1 Citations

COA

Grade & Purity:

≥99%

Cas Number: 99-51-4
Molecular Weight: 151.16
Beilstein Registry Number: 2043245
EC Number: 202-761-6
MDL number: MFCD00007268
PubChem CID: 7440
PubChem SID: 504751345

In stock

Item Number

N105960

Grouped product items
SKU	Size	Availability	Price
N105960-25g	25g	3	$16.90
N105960-100g	100g	3	$58.90
N105960-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$63.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	AKOS000120608 \| EC 202-761-6 \| Q27277994 \| 4-Nitro-1,2-dimethylbenzene \| NCGC00091347-03 \| 1,2-Dimethyl-4-nitrobenzene, 99% \| EN300-21077 \| p-Nitro-o-xylene \| 1,2-DIMETHYL-4-NITROBENZENE \| 1,2-dimethyl-4-nitro-benzene \| Benzene,2-dimethyl-4-nitro- \| BS-42
Specifications & Purity	≥99%
Shipped In	Normal

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 o-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 - O-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)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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	504751345
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751345
IUPAC Name	1,2-dimethyl-4-nitrobenzene
INCHI	InChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3
InChIKey	HFZKOYWDLDYELC-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1)[N+](=O)[O-])C
Isomeric SMILES	CC1=C(C=C(C=C1)[N+](=O)[O-])C
WGK Germany	2
UN Number	1665
Packing Group	II
Molecular Weight	151.16
Beilstein	2043245
Reaxy-Rn	2043245
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043245&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.

4 results found

Lot Number	Certificate Type	Date	Item
E1508074	Certificate of Analysis	Feb 02, 2023	N105960
F2214354	Certificate of Analysis	Mar 04, 2022	N105960
F2214353	Certificate of Analysis	Mar 04, 2022	N105960
F2214355	Certificate of Analysis	Mar 04, 2022	N105960

Chemical and Physical Properties

Freezing Point(°C)	28 °C
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Melt Point(°C)	28 °C
Molecular Weight	151.160 g/mol
XLogP3	2.900
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	153.000
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. Meng Li Liu, Bin Bin Chen, Ze Xi Liu, Cheng Zhi Huang. (2016) Highly selective and sensitive detection of 2,4,6-trinitrophenol by using newly developed blue–green photoluminescent carbon nanodots. TALANTA, 161 (875).

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