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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Nitro-4-(trifluoromethyl)phenol - ≥98% , CAS No.400-99-7
Synonyms
p-Cresol, 2-nitro-.alpha.,.alpha.,.alpha.-trifluoro- | AM61954 | 2-Nitro-4-(trifluoromethyl)phenol, 99% | AKOS005063851 | A19875 | 4-06-00-02150 (Beilstein Handbook Reference) | 2-Nitro-.alpha.,.alpha.,.alpha.-trifluoro-p-cresol | 2-Nitro-alpha,alpha,alph
Storage
Argon charged,Room temperature
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview 2-Nitro-4-(trifluoromethyl)phenol is the major product of solution phase photodecomposition of fluorodifen.
Application：
2-Nitro-4-(trifluoromethyl)phenol has been used in the synthesis of 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]propionic acid ethyl ester.
Specifications Synonyms
p-Cresol, 2-nitro-.alpha., .alpha., .alpha.-trifluoro- | AM61954 | 2-Nitro-4-(trifluoromethyl)phenol, 99% | AKOS005063851 | A19875 | 4-06-00-02150 (Beilstein Handbook Reference) | 2-Nitro-.alpha., .alpha., .alpha.-trifluoro-p-cresol | 2-Nitro-alpha, alpha, alph
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Names and Identifiers Pubchem Sid 488181032 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488181032 Canonical Smiles C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])O IUPAC Name 2-nitro-4-(trifluoromethyl)phenol InChIKey XZEDEVRSUANQEM-UHFFFAOYSA-N INCHI 1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H Isomeric SMILES C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])O WGK Germany 3 RTECS GP2984950 Molecular Weight 207.11 Beilstein 2215510 Reaxy-Rn 2215510 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2215510&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 Phenols Subclass Nitrophenols Intermediate Tree Nodes Not available Direct Parent Nitrophenols Alternative Parents Trifluoromethylbenzenes Nitrobenzenes Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrophenol - Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - Organohalogen compound - Alkyl fluoride - Organic oxide - Alkyl halide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms. 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Refractive Index 1.504 Flash Point(°F) 203 °F Flash Point(°C) 95°C(Lit.) Boil Point(°C) 94°C/12mmHg Molecular Weight 207.110 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 0 Exact Mass 207.014 Da Monoisotopic Mass 207.014 Da Topological Polar Surface Area 66.100 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 225.000 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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