ChemicalBook--->CAS DataBase List--->84942-40-5

84942-40-5

84942-40-5 Structure

84942-40-5 Structure
IdentificationMore
[Name]

5'-Chloro-2'-hydroxy-3'-nitroacetophenone
[CAS]

84942-40-5
[Synonyms]

6-CHLORO-7-METHYLCHROMANONE
TIMTEC-BB SBB005893
5-Chloro-3-nitro-2-hydroxyacetophenone
5-Chloro-2-hydroxy-3-nitroacet
2''-HYDROXY-3''-NITRO-5''-CHLOROACETOPHENONE
1-(5-Chloro-2-hydroxy-3-nitrophenyl)ethanone
5'-Chloro-2'-hydroxy-3'-nitroacetophenone
[Molecular Formula]

C8H6ClNO4
[MDL Number]

MFCD01631131
[Molecular Weight]

215.59
[MOL File]

84942-40-5.mol
Chemical PropertiesBack Directory
[Melting point ]

132-135 °C(lit.)
[storage temp. ]

RT, stored under nitrogen
[form ]

powder to crystal
[color ]

White to Yellow to Orange
[InChI]

1S/C8H6ClNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3
[InChIKey]

IUNBIQBAYUBIFD-UHFFFAOYSA-N
[SMILES]

CC(=O)c1cc(Cl)cc(c1O)[N+]([O-])=O
[CAS DataBase Reference]

84942-40-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

2914390090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

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

Preparation by reaction of nitric acid on 5-chloro-2- hydroxyacetophenone in acetic acid at r.t.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

5'-Chloro-2'-hydroxy-3'-nitroacetophenone(84942-40-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

5'-Chloro-2'-hydroxy-3'-nitroacetophenone, 99%(84942-40-5)
[Sigma Aldrich]

84942-40-5(sigmaaldrich)
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