4-Iodophenylacetonitrile - ≥97% , CAS No.51628-12-7

CAS: 51628-12-7 Cat. No.: I170725 Fórmula: C8H6IN Peso molecular: 243.04 Número EC: 626-811-5
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
4-(cyanomethyl)phenyl iodide | Benzeneacetonitrile, 4-iodo- | (4-Iodophenyl)acetonitrile | (4-iodo-phenyl)-acetonitrile | FT-0618803 | J-506019 | DTXSID50199579 | CK1021 | SY030019 | 4-Iodophenylacetonitrile | A828695 | I1058 | 4-Iodobenzyl cyanide | DS-6
Storage
Room temperature
Shipped In
Normal
★
Size
Alemania (EU)
USA*
Price
Qty
250mg
I170725-250mg
—
3 Disponible

8,59€

12,93€
Guardar 4,34 € (33.56%)
1g
I170725-1g
—
3 Disponible

10,33€

15,53€
Guardar 5,21 € (33.52%)
5g
I170725-5g
—
Disponible ≥10

13,80€

20,74€
Guardar 6,94 € (33.47%)
10g
I170725-10g
Fabricado bajo pedido · 8–12 semanas

26,81€

40,70€
Guardar 13,88 € (34.12%)
25g
I170725-25g
Fabricado bajo pedido · 8–12 semanas

65,86€

98,84€
Guardar 32,97 € (33.36%)
100g
I170725-100g
Fabricado bajo pedido · 8–12 semanas

262,84€

394,73€
Guardar 131,90 € (33.41%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥97% 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.

Specifications

Sinónimos
4-(cyanomethyl)phenyl iodide | Benzeneacetonitrile, 4-iodo- | (4-Iodophenyl)acetonitrile | (4-iodo-phenyl)-acetonitrile | FT-0618803 | J-506019 | DTXSID50199579 | CK1021 | SY030019 | 4-Iodophenylacetonitrile | A828695 | I1058 | 4-Iodobenzyl cyanide | DS-6
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥97%
Nombres e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488188154
Sonrisas canónicas
C1=CC(=CC=C1CC#N)I
IUPAC Name
2-(4-iodophenyl)acetonitrile
InChIKey
PNXWQTYSBFGIFD-UHFFFAOYSA-N
INCHI
1S/C8H6IN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
Isómeros SMILES
C1=CC(=CC=C1CC#N)I
WGK Alemania
3
Peso molecular
243.04
Reaxy-Rn
1934479
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1934479&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
ClaseBenzene and substituted derivatives
SubclassBenzyl cyanides
Intermediate Tree Nodes Not available
Direct ParentBenzyl cyanides
Alternative Parents Iodobenzenes  Aryl iodides  Nitriles  Organopnictogen compounds  Organoiodides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzyl-cyanide - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





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.

4 results found

Lot NumberCertificate TypeFechaArticulo
L2208412Certificate of AnalysisSep 09, 2025 I170725
I1906017Certificate of AnalysisApr 14, 2025 I170725
B2217063Certificate of AnalysisDec 11, 2024 I170725
L2208449Certificate of AnalysisDec 13, 2022 I170725
Propiedades químicas y físicas
SolubilidadInsoluble in water
Sensibilidadlight sensitive
Punto de fusión (°C)54 °C
Peso molecular243.040 g/mol
XLogP32.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass242.954 Da
Monoisotopic Mass242.954 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count10
Formal Charge0
Complexity139.000
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
Calculadoras de soluciones
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