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162299

Sigma-Aldrich

1-Chloro-3-fluorobenzene

99%

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About This Item

Linear Formula:
ClC6H4F
CAS Number:
625-98-9
Molecular Weight:
130.55
EC Number:
210-919-0
MDL number:
MFCD00000569
UNSPSC Code:
12352100
PubChem Substance ID:
24849975
NACRES:
NA.22

Quality Level

100

assay

99%

form

liquid

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.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

wgk_germany

WGK 3

flash_point_f

68.0 °F

flash_point_c

20 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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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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