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

CAS: 88-72-2 Cat. No.: N104634 Formula: C7H7NO2 Molecular Weight: 137.14 Beilstein Registry Number: 1907580 EC Number: 201-853-3
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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
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Size
Germany (EU)
USA*
Price
Qty
250mg
N104634-250mg
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1 In stock

€51.98

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Why this grade

analytical standard Analytical standard 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

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
Specifications & Purity
analytical standard
Storage
Room temperature,Desiccated
Shipped In
FedEx DG Service
Grade
Analytical standard
Names and Identifiers
Pubchem Sid
Canonical Smiles
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
Isomeric SMILES
CC1=CC=CC=C1[N+](=O)[O-]
WGK Germany
3
RTECS
XT3150000
UN Number
1664
Packing Group
II
Molecular Weight
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.

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✅ 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
ClassBenzene 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCL8 Tchem Interleukin-8 (642 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

1 results found

Lot NumberCertificate TypeDateItem
I1706003Certificate of AnalysisJul 07, 2026 N104634
Chemical and Physical Properties
SolubilityMiscible with acetone, benzene, chloroform, diethyl ether, ethanol and petroleum ether. Immiscible with water.
Refractive Index1.5445-1.5465
Flash Point(°F)203℉
Flash Point(°C)95℃
Boil Point(°C)222°C
Melt Point(°C)-9°C
Molecular Weight137.140 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
Documents & Articles
Citations of This Product
Solution Calculators
Reviews

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