m-Nitrotoluene - CP , CAS No.99-08-1

CAS: 99-08-1 Cat. No.: N105604 Formule: C7H7NO2 Poids moléculaire: 137.14 Beilstein Registry Number: 1906910 Numéro CE: 202-728-6
DISPONIBLE À COMMANDE
GRADE & PURITY CP ? Chemically Pure grade — moderate purity above technical grade but below analytical. Use for general lab reactions where ultra-low impurities aren't critical.
Synonyms
29A9W826KQ | SMR000677943 | UN 1664 | UNII-29A9W826KQ | m-Nitrotoluene, liquid or solid | N0274 | BDBM50008563 | meta-Nitrotoluol | NCGC00090732-04 | SCHEMBL19334362 | Tox21_202435 | 3-Nitrotoluene, 99% | DTXSID5021831 | NCGC00090732-03 | Nitrotoluene, m-
Storage
Room temperature
Shipped In
FedEx DG Service
★
Size
USA
Allemagne (EU)*
Price
Qty
100ml
N105604-100ml
3 En stock
—

13,90$US

16,90$US
Enregistrer 3,00 $US (17.75%)
500ml
N105604-500ml
3 En stock
1 En stock

49,90$US

58,90$US
Enregistrer 9,00 $US (15.28%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

CP CP for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature 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 31 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes
29A9W826KQ | SMR000677943 | UN 1664 | UNII-29A9W826KQ | m-Nitrotoluene, liquid or solid | N0274 | BDBM50008563 | meta-Nitrotoluol | NCGC00090732-04 | SCHEMBL19334362 | Tox21_202435 | 3-Nitrotoluene, 99% | DTXSID5021831 | NCGC00090732-03 | Nitrotoluene, m-
Spécifications et pureté
CP
Conditions de stockage de stockage
Room temperature
Expédié en
FedEx DG Service
Grade
CP
Noms et identifiants
Pubchem Sid
Sourires canoniques
CC1=CC(=CC=C1)[N+](=O)[O-]
IUPAC Name
1-methyl-3-nitrobenzene
InChIKey
QZYHIOPPLUPUJF-UHFFFAOYSA-N
INCHI
1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
Isomères SMILES
CC1=CC(=CC=C1)[N+](=O)[O-]
WGK Allemagne
2
RTECS
XT2975000
Numéro ONU
1664
Groupe d'emballage
II
Poids moléculaire
137.14
Beilstein
1906910
Reaxy-Rn
1906910
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906910&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
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
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
ACHE Tclin Acetylcholinesterase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
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.

2 results found

Lot NumberCertificate TypeDateArticle
F2130302Certificate of AnalysisApr 08, 2025 N105604
B2327403Certificate of AnalysisMar 03, 2023 N105604
Propriétés chimiques et physiques
SolubilitéInsoluble in water; Degree of Solubility in water: 0.5 g/l 20 °C; Miscible with Alcohol,Ether; Soluble in Benzene
Point de congélation (°C)16 °C
Indice de réfraction1.54
Point d'éclair (°F)208 °F
Point d'éclair (°C)98 °C
Point d'ébullition (°C)232°C
Point de fusion (°C)16 °C
Poids moléculaire137.140 g/mol
XLogP32.400
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
FAQ et articles
Citations of This Product
Calculateurs de solution
Avis

Avis des clients

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.