o-Nitrotoluene - analytical standard , CAS No.88-72-2

CAS: 88-72-2 Cat. No.: N104634 Fórmula: C7H7NO2 Peso molecular: 137.14 Beilstein Registry Number: 1907580 Número CE: 201-853-3
Disponível para encomenda
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
2-Nitrotoluene|1-Methyl-2-nitrobenzene|88-72-2|O-NITROTOLUENE|NITROTOLUENE|o-Nitrotoluol|o-Methylnitrobenzene|Toluene, o-nitro-|2-Methyl-1-nitrobenzene|2-Methylnitrobenzene|2-Nitrotoluol|ortho-Nitrotoluol|Benzene, 1-methyl-2-nitro-|1-methyl-2-nitro-benzen
Storage
Room temperature,Desiccated
Shipped In
FedEx DG Service
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Size
USA
Alemanha (EU)*
Price
Qty
250mg
N104634-250mg
1 Em stock
—

59,90US$

70,90US$
Gravar 11,00 US$ (15.51%)
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Why this grade

analytical standard Padrão analítico for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Desiccated Ships FedEx DG Service Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 51 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
2-Nitrotoluene | 1-Methyl-2-nitrobenzene | 88-72-2 | O-NITROTOLUENE | NITROTOLUENE | o-Nitrotoluol | o-Methylnitrobenzene | Toluene, o-nitro- | 2-Methyl-1-nitrobenzene | 2-Methylnitrobenzene | 2-Nitrotoluol | ortho-Nitrotoluol | Benzene, 1-methyl-2-nitro- | 1-methyl-2-nitro-benzen
Especificações e pureza
analytical standard
Condições de armazenamento de armazenamento
Room temperature,Desiccated
Enviado em
FedEx DG Service
Grau
Padrão analítico
Nomes e identificadores
Pubchem Sid
Sorrisos canónicos
CC1=CC=CC=C1[N+](=O)[O-]
IUPAC Name
1-methyl-2-nitrobenzene
InChIKey
PLAZTCDQAHEYBI-UHFFFAOYSA-N
INCHI
1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
SMILES isoméricas
CC1=CC=CC=C1[N+](=O)[O-]
WGK Alemanha
3
RTECS
XT3150000
Número UN
1664
Grupo de embalagem
II
Peso molecular
137.14
Beilstein
1907580
Reaxy-Rn
1907580
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907580&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
ClasseBenzene and substituted derivatives
SubclassNitrobenzenes
Intermediate Tree Nodes Not available
Direct ParentNitrobenzenes
Alternative Parents Nitrotoluenes  Nitroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Toluene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
DescriçãoThis 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 a small molecule
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ERG Tbio Transcriptional regulator ERG (5589 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
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.

1 results found

Lot NumberCertificate TypeDataItem
I1706003Certificate of AnalysisJul 07, 2026 N104634
Propriedades químicas e físicas
SolubilidadeMiscible with acetone, benzene, chloroform, diethyl ether, ethanol and petroleum ether. Immiscible with water.
Índice de refração1.5445-1.5465
Ponto de inflamação (°F)203℉
Ponto de inflamação (°C)95℃
Ponto de ebulição (°C)222°C
Ponto de fusão (°C)-9°C
Peso molecular137.140 g/mol
XLogP32.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass137.048 Da
Monoisotopic Mass137.048 Da
Topological Polar Surface Area45.800 Ų
Heavy Atom Count10
Formal Charge0
Complexity130.000
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
FAQs e artigos
Citations of This Product
Calculadoras de soluções
Revisões

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