3-(Trifluoromethyl)phenylacetonitrile - ≥98% , CAS No.2338-76-3

CAS: 2338-76-3 Cat. No.: T107628 Peso molecular: 185.15 Número EC: 219-053-8 PubChem CID: 75360
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
3-(Trifluoromethyl)phenylacetonitrile, 97% | 3-trifluoromethylphenyl acetonitrile | MFCD00211068 | Acetonitrile, (.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)- | [3-(Trifluoromethyl)phenyl]acetonitrile | 3-(Trifluoromethyl)benzeneacetonitrile | BLAISJRRTZAV
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5g
T107628-5g
3

9,90US$

14,90US$
Guardar 5,00 US$ (33.56%)
25g
T107628-25g
3

15,90US$

23,90US$
Guardar 8,00 US$ (33.47%)
100g
T107628-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

45,90US$

68,90US$
Guardar 23,00 US$ (33.38%)
500g
T107628-500g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

167,90US$

251,90US$
Guardar 84,00 US$ (33.35%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% 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
3-(Trifluoromethyl)phenylacetonitrile, 97% | 3-trifluoromethylphenyl acetonitrile | MFCD00211068 | Acetonitrile, (.alpha., .alpha., .alpha.-trifluoro-m-tolyl)- | [3-(Trifluoromethyl)phenyl]acetonitrile | 3-(Trifluoromethyl)benzeneacetonitrile | BLAISJRRTZAV
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥98%
Nombres e identificadores
Pubchem Sid504754935
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504754935
Sonrisas canónicasC1=CC(=CC(=C1)C(F)(F)F)CC#N
IUPAC Name2-[3-(trifluoromethyl)phenyl]acetonitrile
InChIKeyJOIYKSLWXLFGGR-UHFFFAOYSA-N
INCHI1S/C9H6F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
Isómeros SMILES C1=CC(=CC(=C1)C(F)(F)F)CC#N
WGK Alemania 3
RTECS CY1820000
PubChem CID 75360
Peso molecular 185.15
Reaxy-Rn 909640

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
SubclassTrifluoromethylbenzenes
Intermediate Tree Nodes Not available
Direct ParentTrifluoromethylbenzenes
Alternative Parents Benzyl cyanides  Nitriles  Organopnictogen compounds  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Trifluoromethylbenzene - Benzyl-cyanide - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
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.

9 results found

Lot NumberCertificate TypeFechaArticulo
D2615581Certificate of AnalysisMar 21, 2026 T107628
D2615582Certificate of AnalysisMar 21, 2026 T107628
D2615583Certificate of AnalysisMar 21, 2026 T107628
D2615585Certificate of AnalysisMar 21, 2026 T107628
I2017046Certificate of AnalysisJul 12, 2024 T107628
I2017045Certificate of AnalysisJul 12, 2024 T107628
I2017044Certificate of AnalysisJul 12, 2024 T107628
E2305801Certificate of AnalysisMay 26, 2023 T107628
I1517010Certificate of AnalysisMay 08, 2023 T107628
Propiedades químicas y físicas
Índice de refracción1.46
Punto de inflamación (°F)120.2 °F
Punto de inflamación (°C)49 °C
Punto de ebullición (°C)93°C/4mmHg
Peso molecular185.150 g/mol
XLogP32.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass185.045 Da
Monoisotopic Mass185.045 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count13
Formal Charge0
Complexity213.000
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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