3,4,5-Trifluorophenol - ≥98% , CAS No.99627-05-1

CAS: 99627-05-1 Cat. No.: T107275 Molecular Weight: 148.08 EC Number: 436-120-9 PubChem CID: 2777943
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
AM20050036 | 3,4,5-Trifluorophenol | 3,4,5-trifluoro-phenol | 4ZDN5FRN89 | 3,4,5-Tris(Fluoranyl)phenol | SCHEMBL156893 | J-511110 | AKOS005063842 | PHENOL, 3,4,5-TRIFLUORO- | DTXSID00380718 | EN300-24413 | ZRTWIJKGTUGZJY-UHFFFAOYSA-N | FT-0614148 | AS-145
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
1g
T107275-1g
3

$9.90

$14.90
Save $5.00 (33.56%)
5g
T107275-5g
2

$10.90

$16.90
Save $6.00 (35.50%)
25g
T107275-25g
2

$21.90

$32.90
Save $11.00 (33.43%)
100g
T107275-100g
1

$70.90

$106.90
Save $36.00 (33.68%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

3,4,5-Trifluorophenol is a halo-substituted phenol. It participates in the synthesis of difluorooxymethylene-bridged liquid crystals

Specifications

Synonyms
AM20050036 | 3, 4, 5-Trifluorophenol | 3, 4, 5-trifluoro-phenol | 4ZDN5FRN89 | 3, 4, 5-Tris(Fluoranyl)phenol | SCHEMBL156893 | J-511110 | AKOS005063842 | PHENOL, 3, 4, 5-TRIFLUORO- | DTXSID00380718 | EN300-24413 | ZRTWIJKGTUGZJY-UHFFFAOYSA-N | FT-0614148 | AS-145
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid504761989
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504761989
Canonical SmilesC1=C(C=C(C(=C1F)F)F)O
IUPAC Name3,4,5-trifluorophenol
InChIKeyZRTWIJKGTUGZJY-UHFFFAOYSA-N
INCHI1S/C6H3F3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
Isomeric SMILES C1=C(C=C(C(=C1F)F)F)O
WGK Germany 2
PubChem CID 2777943
UN Number 3261
Molecular Weight 148.08
Reaxy-Rn 8830884

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenols
SubclassHalophenols
Intermediate Tree Nodes Fluorophenols
Direct ParentP-fluorophenols
Alternative Parents M-fluorophenols  Fluorobenzenes  1-hydroxy-2-unsubstituted benzenoids  Aryl fluorides  Organooxygen compounds  Organofluorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 4-fluorophenol - 3-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as p-fluorophenols. These are fluorophenols carrying a iodine at the C4 position of the benzene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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.

6 results found

Lot NumberCertificate TypeDateItem
E1718012Certificate of AnalysisMay 20, 2026 T107275
J2009080Certificate of AnalysisFeb 05, 2026 T107275
E2223142Certificate of AnalysisNov 24, 2025 T107275
E2223145Certificate of AnalysisNov 24, 2025 T107275
E2223146Certificate of AnalysisNov 24, 2025 T107275
B2216195Certificate of AnalysisFeb 19, 2022 T107275
Chemical and Physical Properties
SolubilitySoluble in water; Soluble in Methanol
Boil Point(°C)177°C
Melt Point(°C)52-55°C
Molecular Weight148.080 g/mol
XLogP32.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass148.014 Da
Monoisotopic Mass148.014 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count10
Formal Charge0
Complexity108.000
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
References
1. Li Zhijun, Zhang Mingyang, Zhang Lili, Dong Xiuli, Leng Leipeng, Horton J. Hugh, Wang Jun.  (2021)  Engineering the atomic interface of porous ceria nanorod with single palladium atoms for hydrodehalogenation reaction.  Nano Research,  15  (2): (1338-1346).  [PMID:] [10.1007/s12274-021-3662-y]
Solution Calculators
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