2-Chloro-5-nitrobenzonitrile - ≥99% , CAS No.16588-02-6

CAS: 16588-02-6 Cat. No.: C120236 Formula: C7H3ClN2O2 Peso molecolare: 182.56 Beilstein Registry Number: 1818642 Numero EC: 240-643-6
Disponibile su ordine
GRADE & PURITY ≥99%
Synonyms
AB00870 | 2-Chlor-5-nitrobenzonitril [German] | 2-Chloro-5-nitrobenzonitrile, 99% | NSC 28973 | Cefoxitine | 5-Nitro-2-chlorobenzonitrile | W-107931 | A21148 | AKOS000120915 | 2-chloro-5-nitrobenzonitril | 6-Chloro-3-nitrobenzonitrile | MSH | 2-Chloro-5-n
Storage
Room temperature
Shipped In
Normal
★
Size
Germania (EU)
USA*
Price
Qty
5g
C120236-5g
—
8 Disponibile

8,59€

12,93€
Salva 4,34 € (33.56%)
25g
C120236-25g
—
4 Disponibile

11,19€

17,27€
Salva 6,07 € (35.18%)
100g
C120236-100g
—
3 Disponibile

38,96€

58,92€
Salva 19,96 € (33.87%)
500g
C120236-500g
Su ordinazione · 8–12 settimane

181,27€

272,38€
Salva 91,11 € (33.45%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥99% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Panoramica

Product Description
2-Chloro-5-nitrobenzonitrile effectively conjugates with rat glutathione S-transferase (GST) isoenzymes and is an alternative model substrate in GST-research.
Product Application
2-Chloro-5-nitrobenzonitrile was used in online detection of rat glutathione S-transferase P1-specific inhibitors by high-resolution screening technology.

Specifications

Sinonimi
AB00870 | 2-Chlor-5-nitrobenzonitril [German] | 2-Chloro-5-nitrobenzonitrile, 99% | NSC 28973 | Cefoxitine | 5-Nitro-2-chlorobenzonitrile | W-107931 | A21148 | AKOS000120915 | 2-chloro-5-nitrobenzonitril | 6-Chloro-3-nitrobenzonitrile | MSH | 2-Chloro-5-n
Specifiche e purezza
≥99%
Condizioni di conservazione di stoccaggio
Room temperature
Spedito in
Normal
Purezza
≥99%
Nomi e identificatori
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488186324
Sorrisi canonici
C1=CC(=C(C=C1[N+](=O)[O-])C#N)Cl
IUPAC Name
2-chloro-5-nitrobenzonitrile
InChIKey
ZGILLTVEEBNDOB-UHFFFAOYSA-N
INCHI
1S/C7H3ClN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H
Isomeri SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C#N)Cl
WGK Germania
3
RTECS
DI3040000
Peso molecolare
182.56
Beilstein
1818642
Reaxy-Rn
1818642
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1818642&ln=

Documentazione

📋 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  Chlorobenzenes  Aryl chlorides  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Nitriles  Organopnictogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrobenzene - Nitroaromatic compound - Benzonitrile - Chlorobenzene - Halobenzene - Aryl chloride - 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 - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
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.

9 results found

Lot NumberCertificate TypeDataOggetto
C2201506Certificate of AnalysisDec 12, 2025 C120236
C2201509Certificate of AnalysisDec 12, 2025 C120236
C2201516Certificate of AnalysisDec 12, 2025 C120236
D1309188Certificate of AnalysisDec 05, 2024 C120236
A2402506Certificate of AnalysisNov 24, 2023 C120236
I2516043Certificate of AnalysisNov 24, 2023 C120236
I2525023Certificate of AnalysisNov 24, 2023 C120236
C23211168Certificate of AnalysisJan 04, 2022 C120236
F2305870Certificate of AnalysisJan 04, 2022 C120236
Proprietà chimiche e fisiche
Punto di ebollizione (°C)122°C/0.6mmHg
Punto di fusione (°C)104-107°C
Peso molecolare182.560 g/mol
XLogP32.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass181.988 Da
Monoisotopic Mass181.988 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
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Domande frequenti

What is the purity of this product?
This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at room temperature.
How is this product shipped?
This product ships under standard ambient conditions. No temperature-controlled packaging is required.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 16588-02-6, the molecular formula is C7H3ClN2O2, and the molecular weight is 182.56 g/mol. InChIKey ZGILLTVEEBNDOB-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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