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About This Item
Linear Formula:
Cl3C6H2COCl
CAS Number:
Molecular Weight:
243.90
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
liquid
Quality Level
assay
97%
form
liquid
refractive index
n20/D 1.5754 (lit.)
bp
107-108 °C/6 mmHg (lit.)
density
1.561 g/mL at 25 °C (lit.)
functional group
acyl chloride, chloro
SMILES string
ClC(=O)c1c(Cl)cc(Cl)cc1Cl
InChI
1S/C7H2Cl4O/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H
InChI key
OZGSEIVTQLXWRO-UHFFFAOYSA-N
Application
2,4,6-Trichlorobenzoyl chloride may be used in the preparation of:
- γ-lactone and δ-lactone
- aliphatic aromatic anhydrides, required for the synthesis of amphiphilic hyaluronan
- mixed anhydride, required for the synthesis of angelate esters
- synthesis of both spongistatin 1 and spongistatin 2
- large-ring lactones in high yields.
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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Fieser, M.
Reagents for Organic Synthesis, 16, 353-353 (1992)
Machiko Ono et al.
Chemical & pharmaceutical bulletin, 61(4), 464-470 (2013-04-03)
Alkaline hydrolysis of 4-hydroxy- or/and 5-hydroxy-(2E)-alkenoate followed by acid treatment gave the corresponding (2E)-alkenoic acids which were subjected to lactone formation reaction without further purification. The crude acids were treated with 2,4,6-trichlorobenzoyl chloride in pyridine to afford γ-lactone or δ-lactone
Improved preparation of angelate esters.
Hartmann B, et al.
Tetrahedron Letters, 32(38), 5077-5080 (1991)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 345504-5G | 04061826760703 |
