(R)-1-(4-Bromophenyl)-2,2,2-trifluoroethanol - ≥98% , CAS No.80418-12-8

CAS: 80418-12-8 Cat. No.: R590220 Molecular Weight: 255.03 EC Number: 196-155-8 PubChem CID: 12640349

GRADE & PURITY ≥98%

Synonyms

(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethanol | AKOS015855370 | SCHEMBL1589426 | (1R)-1-(4-Bromophenyl)-2,2,2-trifluoroethan-1-ol | (R)-1-(4-bromophenyl)-2,2,2-trifluoroethanol | A9952 | BS-50319 | (R)-1-(4-Bromophenyl)-2,2,2-trifluoroethan-1-ol | DTXSID1

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

(1R)-1-(4-bromophenyl)-2, 2, 2-trifluoroethanol | AKOS015855370 | SCHEMBL1589426 | (1R)-1-(4-Bromophenyl)-2, 2, 2-trifluoroethan-1-ol | (R)-1-(4-bromophenyl)-2, 2, 2-trifluoroethanol | A9952 | BS-50319 | (R)-1-(4-Bromophenyl)-2, 2, 2-trifluoroethan-1-ol | DTXSID1

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1C(C(F)(F)F)O)Br
• IUPAC Name: (1R)-1-(4-bromophenyl)-2,2,2-trifluoroethanol
• InChIKey: PHWPRSZULISLMK-SSDOTTSWSA-N
• INCHI: 1S/C8H6BrF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7,13H/t7-/m1/s1
• Isomeric SMILES: C1=CC(=CC=C1[C@H](C(F)(F)F)O)Br
• Alternate CAS: 80418-12-8
• PubChem CID: 12640349
• Molecular Weight: 255.03

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Secondary alcohols Fluorohydrins Organofluorides Organobromides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl bromide - Aryl halide - Fluorohydrin - Halohydrin - Secondary alcohol - Organobromide - Organohalogen compound - Alkyl fluoride - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organooxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 255.030 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 253.955 Da
• Monoisotopic Mass: 253.955 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 163.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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