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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Hydroxybenzotrifluoride - ≥98% , CAS No.444-30-4
Synonyms
BBL101294 | EN300-24407 | 2-hydroxy benzotrifluoride | InChI=1/C7H5F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11 | alpha,alpha,alpha-trifluorocresol | alpha,alpha,alpha-trifluoro-cresol | trifluoromethylphenol | alpha, alpha, alpha-trifluorocresol | DTXSID007484
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
BBL101294 | EN300-24407 | 2-hydroxy benzotrifluoride | InChI=1/C7H5F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11 | alpha,alpha,alpha-trifluorocresol | alpha,alpha,alpha-trifluoro-cresol | trifluoromethylphenol | alpha, alpha, alpha-trifluorocresol | DTXSID007484
Specifications & Purity
≥98%
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 508808516 Canonical Smiles C1=CC=C(C(=C1)C(F)(F)F)O IUPAC Name 2-(trifluoromethyl)phenol InChIKey ZOQOPXVJANRGJZ-UHFFFAOYSA-N INCHI 1S/C7H5F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11H Isomeric SMILES C1=CC=C(C(=C1)C(F)(F)F)O WGK Germany 3 Molecular Weight 162.11 Beilstein 1867917 Reaxy-Rn 1867917 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1867917&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 Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Trifluoromethylbenzenes Intermediate Tree Nodes Not available Direct Parent Trifluoromethylbenzenes Alternative Parents 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Trifluoromethylbenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound Description This 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Moisture sensitive Flash Point(°F) 150.8 °F Flash Point(°C) 65°(149°F) Boil Point(°C) 147-148°C Melt Point(°C) 45-46°C Molecular Weight 162.110 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 0 Exact Mass 162.029 Da Monoisotopic Mass 162.029 Da Topological Polar Surface Area 20.200 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 132.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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