(−)-1-(9-Fluorenyl)ethyl chloroformate solution - for chiral derivatization, 18mM in acetone , CAS No.154479-90-0

CAS: 154479-90-0 Cat. No.: F466381 Molecular Weight: 272.73 EC Number: 621-431-6

GRADE & PURITY for chiral derivatization, 18mM in acetone

Synonyms

(+)-1-(9H-Fluoren-9-yl)ethyl carbonochloridate | 1-(9H-fluoren-9-yl)ethyl carbonochloridate | Carbonochloridic acid, 1-(9H-fluoren-9-yl)ethyl ester, (+)- | 1-(9-Fluorenyl)ethyl chloroformate | (-)-1-(9H-Fluoren-9-yl)ethyl carbonochloridate | FT-0738928 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Description

(-)-1-(9-Fluorenyl)ethyl chloroformate is mostly used as an in-capillary derivatization agent for the separation of amino acid (AA) derivatives by micellar electrokinetic chromatography (MEKC).

Specifications

Synonyms

(+)-1-(9H-Fluoren-9-yl)ethyl carbonochloridate | 1-(9H-fluoren-9-yl)ethyl carbonochloridate | Carbonochloridic acid, 1-(9H-fluoren-9-yl)ethyl ester, (+)- | 1-(9-Fluorenyl)ethyl chloroformate | (-)-1-(9H-Fluoren-9-yl)ethyl carbonochloridate | FT-0738928 |

Specifications & Purity

for chiral derivatization, 18mM in acetone

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

for chiral derivatization

Names and Identifiers

• Canonical Smiles: CC(C1C2=CC=CC=C2C3=CC=CC=C13)OC(=O)Cl
• IUPAC Name: 1-(9H-fluoren-9-yl)ethyl carbonochloridate
• InChIKey: SFRVOKMRHPQYGE-UHFFFAOYSA-N
• INCHI: 1S/C16H13ClO2/c1-10(19-16(17)18)15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-10,15H,1H3
• Isomeric SMILES: CC(C1C2=CC=CC=C2C3=CC=CC=C13)OC(=O)Cl
• WGK Germany: 2
• UN Number: 1090
• Packing Group: II
• Molecular Weight: 272.73
• Reaxy-Rn: 30054225
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30054225&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Organic carbonic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Carbonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

• Flash Point(°F): -2.2 °F
• Flash Point(°C): -19 °C
• Molecular Weight: 272.720 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 272.06 Da
• Monoisotopic Mass: 272.06 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 322.000
• 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