The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
4-(1-Amino-2,2,2-trifluoro-ethyl)-phenol , CAS No.294175-07-8
Discover 4-(1-Amino-2,2,2-trifluoro-ethyl)-phenol by Aladdin Scientific in for only $631.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-(1-amino-2,2,2-trifluoroethyl)phenol | 294175-07-8 | 4-(1-Amino-2,2,2-trifluoro-ethyl)-phenol | 1187928-59-1 | Phenol, 4-(1-amino-2,2,2-trifluoroethyl)- | MFCD09832191 | (R)-4-(1-amino-2,2,2-trifluoroethyl)phenol | 1187930-88-6 | (S)-4-(1-amino-2,2,2-trifluoroethyl)phe
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
1-hydroxy-2-unsubstituted benzenoids
Intermediate Tree Nodes
Not available
Direct Parent
1-hydroxy-2-unsubstituted benzenoids
Alternative Parents
Aralkylamines Benzene and substituted derivatives Organooxygen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Alkyl fluoride - Hydrocarbon derivative - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
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.
Names and Identifiers
IUPAC Name
4-(1-amino-2,2,2-trifluoroethyl)phenol
INCHI
InChI=1S/C8H8F3NO/c9-8(10,11)7(12)5-1-3-6(13)4-2-5/h1-4,7,13H,12H2
InChIKey
XIBJQYMKBQZQPP-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1C(C(F)(F)F)N)O
Isomeric SMILES
C1=CC(=CC=C1C(C(F)(F)F)N)O
Molecular Weight
191.15
Reaxy-Rn
8616197
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8616197&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
191.150 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
191.056 Da
Monoisotopic Mass
191.056 Da
Topological Polar Surface Area
46.300 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
163.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
