2-Methyl-1-nitroanthraquinone , CAS No.129-15-7

CAS: 129-15-7 Cat. No.: M124353 Peso molecular: 267.243 Número EC: 204-932-0
Disponible para pedir
Synonyms
2-METHYL-1-NITROANTHRAQUINONE|129-15-7|2-methyl-1-nitroanthracene-9,10-dione|1-Nitro-2-methylanthraquinone|9,10-Anthracenedione, 2-methyl-1-nitro-|Anthraquinone, 2-methyl-1-nitro-|NCI-C01923|1-N-2-Ma|2-Methyl-1-nitro-9,10-anthracenedione|2-methyl-1-nitro-
Storage
Room temperature
Shipped In
Normal
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Size
Estado
Price
Qty
250mg
M124353-250mg
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306,90US$

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
2-METHYL-1-NITROANTHRAQUINONE | 129-15-7 | 2-methyl-1-nitroanthracene-9, 10-dione | 1-Nitro-2-methylanthraquinone | 9, 10-Anthracenedione, 2-methyl-1-nitro- | Anthraquinone, 2-methyl-1-nitro- | NCI-C01923 | 1-N-2-Ma | 2-Methyl-1-nitro-9, 10-anthracenedione | 2-methyl-1-nitro-
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Nombres e identificadores
Sonrisas canónicasCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]
IUPAC Name2-methyl-1-nitroanthracene-9,10-dione
InChIKeyFYXKXZFTZBYYNP-UHFFFAOYSA-N
INCHI1S/C15H9NO4/c1-8-6-7-11-12(13(8)16(19)20)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3
Isómeros SMILES CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]
Peso molecular 267.243
Reaxy-Rn 2140943
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2140943&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseAnthracenes
SubclassAnthraquinones
Intermediate Tree Nodes Not available
Direct ParentAnthraquinones
Alternative Parents Nitronaphthalenes  Nitroaromatic compounds  Aryl ketones  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents 9,10-anthraquinone - Anthraquinone - 1-nitronaphthalene - Nitroaromatic compound - Aryl ketone - Ketone - 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 - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homopolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
External Descriptors anthraquinone
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCL8 Tchem Interleukin-8 (642 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AHR Tclin Aryl hydrocarbon receptor (1071 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Punto de fusión (°C)270-271°C
Peso molecular267.240 g/mol
XLogP33.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass267.053 Da
Monoisotopic Mass267.053 Da
Topological Polar Surface Area80.000 Ų
Heavy Atom Count20
Formal Charge0
Complexity455.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Yan Yan, Pengchong Wang, Ying Sun, Yalin Dong, Jianfeng Xing.  (2019)  Potential Mechanisms of 3, 4-Oxo-Isopropylidene-Shikimic Acid in Ameliorating 2, 4, 6-Trinitrobenzenesulfonic Acid-Induced Colitis in Rats.  JOURNAL OF INTERFERON AND CYTOKINE RESEARCH,  39  (9): (554-563).  [PMID:31120312] [10.1089/jir.2019.0064]
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