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Basic Description
| 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 Temp | Argon charged |
| Shipped In | Normal |
| Product Description |
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. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Phenols
- Subclass Nitrophenols
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Class
Phenols
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Superclass
Benzenoids
| 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 |
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Names and Identifiers
| Pubchem Sid | 488181032 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181032 |
| IUPAC Name | 2-nitro-4-(trifluoromethyl)phenol |
| INCHI | InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H |
| InChIKey | XZEDEVRSUANQEM-UHFFFAOYSA-N |
| Smiles | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])O |
| 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= |
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.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E23251319 |
Certificate of Analysis | Apr 23, 2023 | N122606 |
| E23251311 |
Certificate of Analysis | Apr 23, 2023 | N122606 |
| E23251322 |
Certificate of Analysis | Apr 23, 2023 | N122606 |
| E23251312 |
Certificate of Analysis | Apr 23, 2023 | N122606 |
| E23231309 |
Certificate of Analysis | Apr 23, 2023 | N122606 |
| E23251316 |
Certificate of Analysis | Apr 23, 2023 | N122606 |
| E23251310 |
Certificate of Analysis | Apr 23, 2023 | N122606 |
| I1415057 |
Certificate of Analysis | Jul 13, 2022 | N122606 |
| I1412040 |
Certificate of Analysis | Jul 09, 2022 | N122606 |
| E1414028 |
Certificate of Analysis | Mar 29, 2022 | N122606 |
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 |
Solution Calculators
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