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About This Item
Linear Formula:
ClC6H4COCl
CAS Number:
Molecular Weight:
175.01
NACRES:
NA.22
PubChem Substance ID:
eCl@ss:
39050512
UNSPSC Code:
12352100
EC Number:
204-515-3
MDL number:
Beilstein/REAXYS Number:
471606
Assay:
99%
Quality Segment
assay
99%
refractive index
n20/D 1.578 (lit.)
bp
102-104 °C/11 mmHg (lit.)
mp
11-14 °C (lit.)
density
1.365 g/mL at 20 °C (lit.)
functional group
acyl chloride, chloro
SMILES string
ClC(=O)c1ccc(Cl)cc1
InChI
1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChI key
RKIDDEGICSMIJA-UHFFFAOYSA-N
General description
4-Chlorobenzoyl chloride is used as an intermediate compound in the synthesis of pharmaceuticals.
Application
4-Chlorobenzoyl chloride was used to synthesize 4-chlorobenzoyl CoA by reacting it with CoA in KHCO3 buffer.
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signalword
Danger
hcodes
Hazard Classifications
Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 1
flash_point_f
221.0 °F - closed cup
flash_point_c
105 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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