3-Iodobenzonitrile - ≥99% , CAS No.69113-59-3

CAS: 69113-59-3 Cat. No.: I103577 Formula: IC6H4CN Peso molecolare: 229.02 Beilstein Registry Number: 9(4)1035 Numero EC: 675-841-5
Disponibile su ordine
GRADE & PURITY ≥99%
Synonyms
DTXSID20219177 | 1-Cyano-3-iodobenzene | PS-7741 | 3-Iodobenzonitrile, 98% | AC-4098 | Benzonitrile, 3-iodo- | m-iodobenzonitrile | MFCD00079762 | 3-Iodobenzonitrile | 3-iodo-benzonitrile | A9159 | Z57899724 | AM20041017 | J-512698 | 8-Methyl-1-naphthalen
Storage
Room temperature
Shipped In
Normal
★
Size
Germania (EU)
USA*
Price
Qty
1g
I103577-1g
—
2 Disponibile
8,59€
5g
I103577-5g
—
3 Disponibile
9,46€
10g
I103577-10g
—
3 Disponibile

10,33€

15,53€
Salva 5,21 € (33.52%)
25g
I103577-25g
—
3 Disponibile

25,08€

38,09€
Salva 13,02 € (34.17%)
50g
I103577-50g
—
2 Disponibile

46,77€

70,20€
Salva 23,43 € (33.37%)
100g
I103577-100g
—
2 Disponibile

89,29€

134,41€
Salva 45,12 € (33.57%)
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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Panoramica

description:

3-Iodobenzonitrile is a halogenated aromatic nitrile. Its standard (ρ° = 0.1MPa) molar enthalpy of formation was determined by combustion calorimetry.


application:

3-Iodobenzonitrile may be used as a starting reagent in the synthesis of tetrachloroisophthalo-[14C]-nitrile (TCIN). It may also be used in the preparation of:

1-(3-iodophenyl)-3-{2-[4-(trifluoromethyl)-1-piperidinyl]ethyl}-2-imidazolidinone;piperidine derivative;chiral amino acid anilide

Specifications

Sinonimi
DTXSID20219177 | 1-Cyano-3-iodobenzene | PS-7741 | 3-Iodobenzonitrile, 98% | AC-4098 | Benzonitrile, 3-iodo- | m-iodobenzonitrile | MFCD00079762 | 3-Iodobenzonitrile | 3-iodo-benzonitrile | A9159 | Z57899724 | AM20041017 | J-512698 | 8-Methyl-1-naphthalen
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/504757274
Sorrisi canonici
C1=CC(=CC(=C1)I)C#N
IUPAC Name
3-iodobenzonitrile
InChIKey
BGARPMGQRREXLN-UHFFFAOYSA-N
INCHI
1S/C7H4IN/c8-7-3-1-2-6(4-7)5-9/h1-4H
Isomeri SMILES
C1=CC(=CC(=C1)I)C#N
WGK Germania
3
Numero UN
3439
Peso molecolare
229.02
Beilstein
9(4)1035
Reaxy-Rn
1931577
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1931577&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
SubclassBenzonitriles
Intermediate Tree Nodes Not available
Direct ParentBenzonitriles
Alternative Parents Iodobenzenes  Aryl iodides  Nitriles  Organopnictogen compounds  Organoiodides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzonitrile - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





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.

7 results found

Lot NumberCertificate TypeDataOggetto
L2418357Certificate of AnalysisSep 01, 2026 I103577
L2201858Certificate of AnalysisSep 13, 2024 I103577
L2201859Certificate of AnalysisSep 13, 2024 I103577
L2201860Certificate of AnalysisSep 13, 2024 I103577
L2201861Certificate of AnalysisSep 13, 2024 I103577
L2201864Certificate of AnalysisSep 13, 2024 I103577
D1403040Certificate of AnalysisJan 19, 2022 I103577
Proprietà chimiche e fisiche
SolubilitàSoluble in Methanol
SensibilitàLight sensitive.
Punto di infiammabilità (°F)230 °F
Punto di infiammabilità (°C)110°C
Punto di fusione (°C)41°C
Peso molecolare229.020 g/mol
XLogP33.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass228.939 Da
Monoisotopic Mass228.939 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count9
Formal Charge0
Complexity135.000
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
Calcolatori di soluzioni
Recensioni

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