162299

Sigma-Aldrich

1-Chloro-3-fluorobenzene

99%

Linear Formula:
ClC6H4F
CAS Number:
Molecular Weight:
130.55
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

99%

refractive index

n20/D 1.494 (lit.)

bp

126-128 °C (lit.)

density

1.219 g/mL at 25 °C (lit.)

SMILES string

Fc1cccc(Cl)c1

InChI

1S/C6H4ClF/c7-5-2-1-3-6(8)4-5/h1-4H

InChI key

VZHJIJZEOCBKRA-UHFFFAOYSA-N

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General description

Reaction of 1-chloro-3-fluorobenzene radical cation with NH3 has been investigated by FT-ICR spectrometry. It reacts with n-butyllithium to yield bicycloadducts via trapping of intermediate benzynes.

Packaging

5, 25 g in glass bottle

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

hazcat

Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

storage_class_code

3 - Flammable liquids

WGK Germany

WGK 3

Flash Point(F)

68.0 °F - closed cup

Flash Point(C)

20 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

Reactions of dihalobenzene radical cations with ammonia in the gas phase. Reactivity pattern for nucleophilic aromatic substitution.
Tholmann D and Gruetzmacher HF.
Journal of the American Chemical Society, 113(9), 3281-3287 (1991)
Antonio Ramírez et al.
Journal of the American Chemical Society, 126(45), 14700-14701 (2004-11-13)
The key elimination step for the formation of 3-chloro- and 3-fluorobenzyne from 2-chloro-6-fluorophenyllithium displays a pronounced solvent-dependent regioselectivity. 6Li and 13C NMR spectroscopic studies on 2-chloro-6-fluorophenyllithium reveal a single monomeric aryllithium, suggested by DFT computational studies to be a trisolvate....
Oriol Planas et al.
Science (New York, N.Y.), 367(6475), 313-317 (2020-01-18)
Bismuth catalysis has traditionally relied on the Lewis acidic properties of the element in a fixed oxidation state. In this paper, we report a series of bismuth complexes that can undergo oxidative addition, reductive elimination, and transmetallation in a manner...

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