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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.)

functional group

chloro
fluoro

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

Signal Word

Danger

Hazard Statements

H225,H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 1 petroleums
Hazardous rank II
Water insoluble liquid

JAN Code

162299-5G:
162299-VAR:
162299-25G:
162299-100G:
162299-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ7575
MKCH8795
MKCH0335
MKCG7814
MKCG6761

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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

Global Trade Item Number

SKUGTIN
162299-100G
162299-25G4061837071003
162299-5G4061837071010

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