1-(Pentafluorophenyl)ethanol - ≥97% , CAS No.830-50-2

CAS: 830-50-2 Cat. No.: P404848 Summenformel: C8H5F5O Molekulargewicht: 212.12 Beilstein Registry Number: 6(4)3044 EG-Nummer: 212-597-7
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GRADE & PURITY ≥97%
Synonyms
CK2468 | A840494 | 1-(Pentafluorophenyl)ethanol, 96% | 1-(pentafluorophenyl)ethan-1-ol | DTXSID50997214 | FT-0772219 | 1-(Pentafluorophenyl)ethanol | MFCD07368877 | WYUNHWKTLDBPLE-UHFFFAOYSA-N | 1-(Pentafluorophenyl)ethanol , | 1-(Perfluorophenyl)ethan-1-
Storage
Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
250mg
P404848-250mg
Auf Bestellung · 8–12 Wochen
15,53€
1g
P404848-1g
Auf Bestellung · 8–12 Wochen
41,56€
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

Synonyme
CK2468 | A840494 | 1-(Pentafluorophenyl)ethanol, 96% | 1-(pentafluorophenyl)ethan-1-ol | DTXSID50997214 | FT-0772219 | 1-(Pentafluorophenyl)ethanol | MFCD07368877 | WYUNHWKTLDBPLE-UHFFFAOYSA-N | 1-(Pentafluorophenyl)ethanol , | 1-(Perfluorophenyl)ethan-1-
Spezifikationen & Reinheit
≥97%
Storage
Room temperature
Verschickt in
Normal
Reinheit
≥97%
Namen und Kennungen
Kanonisches LächelnCC(C1=C(C(=C(C(=C1F)F)F)F)F)O
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)ethanol
InChIKeyWYUNHWKTLDBPLE-UHFFFAOYSA-N
INCHI1S/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3
Isomere SMILES CC(C1=C(C(=C(C(=C1F)F)F)F)F)O
Alternative CAS-Nummer 75853-08-6
Molekulargewicht 212.12
Beilstein 6(4)3044
Reaxy-Rn 2214979
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2214979&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
KlasseBenzene and substituted derivatives
SubclassHalobenzenes
Intermediate Tree Nodes Not available
Direct ParentFluorobenzenes
Alternative Parents Aryl fluorides  Secondary alcohols  Organofluorides  Hydrocarbon derivatives  Aromatic alcohols  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Fluorobenzene - Aryl halide - Aryl fluoride - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Brechungsindex1.4400
Flammpunkt (°F)188°F
Flammpunkt (°C)87°C
Siedepunkt (°C)68-70°/30mm
Schmelzpunkt (°C)29.5-35.5℃
Molekulargewicht212.120 g/mol
XLogP31.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass212.026 Da
Monoisotopic Mass212.026 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count14
Formal Charge0
Complexity186.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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