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6-Nitrobenzimidazole - ≥98% , CAS No.94-52-0

CAS: 94-52-0 Cat. No.: N105969 Peso molecular: 163.13 Beilstein Registry Number: 7926 Número EC: 202-341-2
COA
6-Nitrobenzimidazole - ≥98% CAS No(94-52-0) by Aladdin Scientific
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
5-Nitro-1H-benzimidazole
Storage
Room temperature
Shipped In
Normal
★
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5g
N105969-5g
9

9,90US$

14,90US$
Guardar 5,00 US$ (33.56%)
25g
N105969-25g
2

22,90US$

34,90US$
Guardar 12,00 US$ (34.38%)
100g
N105969-100g
6

37,90US$

56,90US$
Guardar 19,00 US$ (33.39%)
500g
N105969-500g
1

188,90US$

283,90US$
Guardar 95,00 US$ (33.46%)
Enter a quantity for the sizes you want to add.
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Descripción general Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Preguntas frecuentes y artículos Calculadoras de soluciones Reseñas
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

5-Nitrobenzimidazole is used as sensitive reagents determinating of bismuth, cadmium, copper,and rubber antioxidant. It also used as photographic materials.

Specifications

Sinónimos
5-Nitro-1H-benzimidazole
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥98%
Nombres e identificadores
Pubchem Sid488180329
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180329
Sonrisas canónicasC1=CC2=C(C=C1[N+](=O)[O-])NC=N2
IUPAC Name6-nitro-1H-benzimidazole
InChIKeyXPAZGLFMMUODDK-UHFFFAOYSA-N
INCHI1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9)
Isómeros SMILES C1=CC2=C(C=C1[N+](=O)[O-])NC=N2
WGK Alemania 3
RTECS DD9800000
Número ONU 2811
Grupo de embalaje I
Peso molecular 163.13
Beilstein 7926
Reaxy-Rn 609917
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=609917&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
SuperclassOrganoheterocyclic compounds
ClaseBenzimidazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzimidazoles
Alternative Parents Nitroaromatic compounds  Benzenoids  Imidazoles  Heteroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic zwitterions  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzimidazole - Nitroaromatic compound - Benzenoid - Azole - Imidazole - Heteroaromatic compound - 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 - Azacycle - Organic zwitterion - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
XDH Tclin Xanthine dehydrogenase (1038 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
PDE10A Tclin Phosphodiesterase 10A (5542 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NAMPT Tchem Nicotinamide phosphoribosyltransferase (3221 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cyp2b1 Cytochrome P450 2B1 (145 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 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:

Find and download the COA for your product by matching the lot number on the packaging.

18 results found

Lot NumberCertificate TypeFechaArticulo
K2110258Certificate of AnalysisAug 12, 2025 N105969
K2110257Certificate of AnalysisAug 12, 2025 N105969
F2505461Certificate of AnalysisMay 28, 2025 N105969
F2505462Certificate of AnalysisMay 28, 2025 N105969
F2505463Certificate of AnalysisMay 28, 2025 N105969
G2431395Certificate of AnalysisJul 23, 2024 N105969
G2431397Certificate of AnalysisJul 23, 2024 N105969
G2431396Certificate of AnalysisJul 23, 2024 N105969
G2431394Certificate of AnalysisJul 23, 2024 N105969
E2413417Certificate of AnalysisApr 13, 2024 N105969
E2413377Certificate of AnalysisApr 13, 2024 N105969
D2412248Certificate of AnalysisMar 14, 2024 N105969
I2219032Certificate of AnalysisJul 19, 2022 N105969
I2219033Certificate of AnalysisJul 19, 2022 N105969
I2219034Certificate of AnalysisJul 19, 2022 N105969
I2219035Certificate of AnalysisJul 19, 2022 N105969
E1823177Certificate of AnalysisApr 11, 2022 N105969
C2208140Certificate of AnalysisMar 23, 2022 N105969

Show more ⌵

Propiedades químicas y físicas
SolubilidadSparingly soluble in water. (0.5g/L at 25°C). Soluble in methanol.
SensibilidadMoisture sensitive.
Punto de fusión (°C)204-206°C
Peso molecular163.130 g/mol
XLogP31.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass163.038 Da
Monoisotopic Mass163.038 Da
Topological Polar Surface Area74.500 Ų
Heavy Atom Count12
Formal Charge0
Complexity192.000
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
Preguntas frecuentes y artículos
Benzimidazole Building-Block Selection Guide: How Three “Knobs” (N Position / C2 Position / Benzene Ring) Drive Properties and Use Cases (Tables 1–4B)
Categories: Technical articles
Tags:
Benzimidazole
Tuning Logic of Imidazole Heteroaromatic Building Blocks: How Dual Nitrogen Sites and Substitution / Salt Forms / Ring Fusion Modulate Charge, Hydrogen Bonding, and Coordination (with Tables A–E)
Categories: Technical articles
Tags:
Imidazole Heteroaromatic Building Blocks
Calculadoras de soluciones
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