Florfenicol Amine Hydrochloride - ≥95% , CAS No.108656-33-3

CAS: 108656-33-3 Cat. No.: F344293 Molecular Weight: 283.75 EC Number: 976-101-7

GRADE & PURITY ≥95%

Synonyms

(αR)-α-[(1S)-1-Αmino-2-fluoroethyl]-4-(methylsulfonyl)benzenemethanol Hydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Florfenicol Amine Hydrochloride is a Florfenicol intermediate used as an antibacterial agent. The compound is an analog of thiamphenicol.

Specifications

Synonyms

(αR)-α-[(1S)-1-Αmino-2-fluoroethyl]-4-(methylsulfonyl)benzenemethanol Hydrochloride

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488199716
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199716
• Canonical Smiles: CS(=O)(=O)C1=CC=C(C=C1)C(C(CF)N)O.Cl
• IUPAC Name: 2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride
• InChIKey: HWPBPTAOXVIKGI-UHFFFAOYSA-N
• INCHI: 1S/C10H14FNO3S.ClH/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(12)6-11;/h2-5,9-10,13H,6,12H2,1H3;1H
• Isomeric SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(C(CF)N)O.Cl
• Molecular Weight: 283.75
• Reaxy-Rn: 13470529
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13470529&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Aralkylamines Sulfones Secondary alcohols 1,2-aminoalcohols Organofluorides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Aralkylamine - Sulfone - Sulfonyl - 1,2-aminoalcohol - Secondary alcohol - Organic nitrogen compound - Hydrochloride - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
• 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

• Solubility: Soluble in water, and methanol.
• Melt Point(°C): >152° C (dec.)
• Molecular Weight: 283.750 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 283.045 Da
• Monoisotopic Mass: 283.045 Da
• Topological Polar Surface Area: 88.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 307.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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