4-Bromo-2-nitrobenzonitrile - ≥98% , CAS No.79603-03-5

CAS: 79603-03-5 Cat. No.: B186663 Fórmula: C7H3BrN2O2 Peso molecular: 227.01 Número CE: 858-897-7
Disponível para encomenda
GRADE & PURITY ≥98%
Storage
Protected from light,Room temperature
Shipped In
Normal
★
Size
Alemanha (EU)
USA*
Price
Qty
250mg
B186663-250mg
—
2 Em stock
34,62€
1g
B186663-1g
—
2 Em stock
92,76€
5g
B186663-5g
—
1 Em stock
137,88€
Enter a quantity for the sizes you want to add.
🧪
Why this grade

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

🌡

Storage & shipping

Protected from light,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 213 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Especificações e pureza
≥98%
Condições de armazenamento de armazenamento
Protected from light,Room temperature
Enviado em
Normal
Pureza
≥98%
Nomes e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/528760604
Sorrisos canónicos
C1=CC(=C(C=C1Br)[N+](=O)[O-])C#N
IUPAC Name
4-bromo-2-nitrobenzonitrile
InChIKey
IOBYLOUUUJPZEO-UHFFFAOYSA-N
INCHI
1S/C7H3BrN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H
SMILES isoméricas
C1=CC(=C(C=C1Br)[N+](=O)[O-])C#N
Peso molecular
227.01
Reaxy-Rn
3262143
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3262143&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 Nitroaromatic compounds  Benzonitriles  Bromobenzenes  Aryl bromides  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Nitriles  Organopnictogen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrobenzene - Nitroaromatic compound - Benzonitrile - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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 Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Trypanosoma brucei brucei (13300 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Leishmania donovani (89745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma cruzi (99888 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.

3 results found

Lot NumberCertificate TypeDataItem
J2521444Certificate of AnalysisAug 13, 2025 B186663
J2521447Certificate of AnalysisAug 13, 2025 B186663
J2521452Certificate of AnalysisAug 13, 2025 B186663
Propriedades químicas e físicas
Peso molecular227.010 g/mol
XLogP31.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass225.938 Da
Monoisotopic Mass225.938 Da
Topological Polar Surface Area69.600 Ų
Heavy Atom Count12
Formal Charge0
Complexity229.000
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
Citations of This Product
Calculadoras de soluções
Revisões

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