3-Nitro-O-Xylene - ≥99% , CAS No.83-41-0

CAS: 83-41-0 Cat. No.: N114374 Summenformel: C₈H₉NO₂ Molekulargewicht: 151.16 Beilstein Registry Number: 2045105 EG-Nummer: 201-474-3

QUALITÄT & REINHEIT ≥99%

Synonyms

1,2-Dimethyl-3-nitrobenzene, 97% | 3-nitro o-xylene | AM10671 | o-Xylene, 3-nitro- | DTXCID405132 | InChI=1/C8H9NO2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H | Q27259283 | ar-Nitroxylene | NCGC00091139-01 | Nitroxylene | AKOS000119945 | 3-Nitro-o-xylene | CAS

Storage

Room temperature

Shipped In

FedEx DG Service

Übersicht

1,2,-dimethyl-3-nitrobenzene (DNB) is a plasticizer
Usually used to prepare 2-methyl-3-nitrobenzylide?ne diacetate.And also used to dissolve sodium-selective ligand.

Spezifikationen

Synonyme

1,2-Dimethyl-3-nitrobenzene, 97% | 3-nitro o-xylene | AM10671 | o-Xylene, 3-nitro- | DTXCID405132 | InChI=1/C8H9NO2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H | Q27259283 | ar-Nitroxylene | NCGC00091139-01 | Nitroxylene | AKOS000119945 | 3-Nitro-o-xylene | CAS

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488180146

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180146

Kanonisches Lächeln

CC1=C(C(=CC=C1)[N+](=O)[O-])C

IUPAC Name

1,2-dimethyl-3-nitrobenzene

InChIKey

FVHAWXWFPBPFOS-UHFFFAOYSA-N

INCHI

1S/C8H9NO2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3

Isomere SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C

WGK Deutschland

3

UN-Nummer

1665

Verpackungsgruppe

II

Molekulargewicht

151.16

Beilstein

2045105

Reaxy-Rn

2045105

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045105&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Data sources

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

Zugehörige Ziele (menschlich)

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

Zugehörige Ziele (nicht menschlich)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.543
• Flammpunkt (°F): 224.6 °F
• Flammpunkt (°C): 107 °C
• Siedepunkt (°C): 244 - 246°C
• Schmelzpunkt (°C): 240°C
• Molekulargewicht: 151.160 g/mol
• XLogP3: 2.800
• 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 Ų
• 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