5-Nitro-2-(4-nitrophenyl)-1H-benzoimidazole , CAS No.1772-39-0

Name: 5-Nitro-2-(4-nitrophenyl)-1H-benzoimidazole , CAS No.1772-39-0
Brand: Aladdin Scientific
SKU: N341767
Availability: InStock

CAS: 1772-39-0 Cat. No.: N341767 Peso molecular: 284.231

COA

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5-Nitro-2-(4-nitrophenyl)-1H-benzoimidazole - CAS No(1772-39-0) by Aladdin Scientific

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Synonyms

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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 Calculadoras de soluciones Reseñas

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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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Nombres e identificadores

Sonrisas canónicas	C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
IUPAC Name	6-nitro-2-(4-nitrophenyl)-1H-benzimidazole
InChIKey	XJIPBORERCFIIP-UHFFFAOYSA-N
INCHI	1S/C13H8N4O4/c18-16(19)9-3-1-8(2-4-9)13-14-11-6-5-10(17(20)21)7-12(11)15-13/h1-7H,(H,14,15)
Isómeros SMILES	C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
Peso molecular	284.231
Reaxy-Rn	624157
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=624157&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Clase Benzimidazoles
    - Subclass Phenylbenzimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Benzimidazoles
Subclass	Phenylbenzimidazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylbenzimidazoles
Alternative Parents	Phenylimidazoles Nitrobenzenes Nitroaromatic compounds 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 Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylbenzimidazole - 2-phenylimidazole - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Objetivos asociados (humanos)

CASP3 Tchem Caspase-3 (3632 Activities)

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MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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ACHN (49357 Activities)

Peso molecular	284.230 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	284.055 Da
Monoisotopic Mass	284.055 Da
Topological Polar Surface Area	120.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	413.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1