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415774 Sigma-Aldrich

5′-Chloro-2′-hydroxy-3′-nitroacetophenone

99%

  • CAS Number 84942-40-5

  • Linear Formula ClC6H2(OH)(NO2)COCH3

  • Molecular Weight 215.59

  •  MDL number MFCD00191921

  •  PubChem Substance ID 24866033

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones,
Quality Level   100
assay   99%
mp   132-135 °C (lit.)
SMILES string   CC(=O)c1cc(Cl)cc(c1O)[N+]([O-])=O
InChI   1S/C8H6ClNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3
InChI key   IUNBIQBAYUBIFD-UHFFFAOYSA-N

Description

General description

5′-Chloro-2′-hydroxy-3′-nitroacetophenone (5-chloro-3-nitro-2-hydroxyacetophenone) is a nitro derivative of ortho-hydroxy aryl ketone. Its crystal structure has been studied by X-ray diffraction. It forms complex with 2-aminobenzoic acid (anthranilic acid), in which the nitro group is turned by approximately 40°C.

Application

5′-Chloro-2′-hydroxy-3′-nitroacetophenone may be used for the synthesis of 6-chloro-8-nitro-4-oxo-4H-chromene-3-carbaldehyde.

Packaging

25 g in poly bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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