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About This Item
Empirical Formula (Hill Notation):
C6H4ClNO2
CAS Number:
Molecular Weight:
157.55
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
96%
Form:
solid
InChI
1S/C6H4ClNO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H,9,10)
SMILES string
OC(=O)c1cnccc1Cl
InChI key
IMRGVWZLCZERSQ-UHFFFAOYSA-N
assay
96%
form
solid
mp
139-143 °C
functional group
carboxylic acid, chloro
Application
Building block used in a synthesis of benzocanthinones via tributyltin hydride radical induced cyclization. Also used in a synthesis of heterocyclic analogues of xanthone.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Synthesis, 4219-4219 (2006)
Tetrahedron, 61, 9102-9102 (2005)
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