ChemicalBook--->CAS DataBase List--->1127-45-3

1127-45-3

1127-45-3 Structure

1127-45-3 Structure
IdentificationMore
[Name]

8-Hydroxyquinoline-N-oxide
[CAS]

1127-45-3
[Synonyms]

2-METHYL-8-HYDROXYQUINOLINE
2-METHYL-8-QUINOLINOL
2-METHYLOXINE
2-Methylquinolin-8-ol
8-HYDROXY-2-METHYLQUINOLINE
8-HYDROXYQUINALDINE
8-HYDROXYQUINOLINE-N-OXIDE
8-HYDROXYQUINOLIN-N-OXIDE
8-QUINOLINOL-1-OXIDE
8-QUINOLINOL N-OXIDE
OXINE N-OXIDE
quinolin-8-ol 1-oxide
TIMTEC-BB SBB009099
1-Oxy-quinolin-8-ol
8-hydroxyquinoline-oxide
8-HYDROXYQUINOLINE N-OXIDE 98%
NSC 2165
8-Hydroxyquinoline 1-Oxide
o-Hydroxyquinoline N-Oxide
8-Hydroxychinolin-N-oxid
[EINECS(EC#)]

212-562-6
[Molecular Formula]

C10H9NO
[MDL Number]

MFCD00006765
[Molecular Weight]

159.18
[MOL File]

1127-45-3.mol
Chemical PropertiesBack Directory
[Appearance]

Yellow Crystalline Solid
[Melting point ]

135-138 °C (lit.)
[Boiling point ]

267 °C(lit.)
[density ]

1.2480 (rough estimate)
[refractive index ]

1.5050 (estimate)
[Fp ]

139 °C
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

Acetone, Chloroform, DMSO, Ethyl Acetate, Methanol
[form ]

Solid
[pka]

6.03±0.30(Predicted)
[color ]

Yellow
[Usage]

A quinoline derivative; shows mutagenic activity
[BRN ]

128737
[InChI]

InChI=1S/C9H7NO2/c11-8-5-1-3-7-4-2-6-10(12)9(7)8/h1-6,11H
[InChIKey]

FJKUOCCQEBLPNX-UHFFFAOYSA-N
[SMILES]

[N+]1([O-])=C2C(C=CC=C2O)=CC=C1
[CAS DataBase Reference]

1127-45-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Warning
[Hazard statements ]

H317-H351b-H372
[Precautionary statements ]

P201-P202-P260-P264b-P270-P272-P280g-P302+P352-P308+P313-P363-P403-P501c
[Hazard Codes ]

N,Xi
[Risk Statements ]

R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S24/25:Avoid contact with skin and eyes .
S22:Do not breathe dust .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

3
[RTECS ]

VC8238500
[F ]

3-10
[HS Code ]

29334900
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

8-Hydroxyquinoline-N-oxide(1127-45-3).msds
Hazard InformationBack Directory
[Description]

A quinoline derivative that displays mutagenic activity. It suppresses luminescence of an indicator bacterium that is named Photobacterium phosphoreum. This chemical forms two kinds of complexes with palladium (II) and Gold (III). One kind is an ion-associated compound containing hydrogen bond and hte other is the six membered metal chelates containing metal-oxygen bonds.
[Chemical Properties]

Yellow Crystalline Solid
[Uses]

A quinoline derivative; shows mutagenic activity
[Definition]

ChEBI: 8-hydroxyquinoline N-oxide is a quinoline N-oxide carrying a hydroxy substituent at position 8. It is a monohydroxyquinoline and a quinoline N-oxide. It is functionally related to a quinolin-8-ol. It is a conjugate acid of an 8-hydroxyquinoline N-oxide(1-).
[General Description]

8-Quinolinol N-oxide is a toxicant which can suppress luminescence of an indicator bacterium Photobacterium phosphoreum. It forms two types of complexes with gold(III) and palladium(II): type I are ion-associated compounds containing hydrogen bond and the other is the six-membered metal chelates containing metal-oxygen bonds.
[Synthesis]

8-hydroxyquinoline-N-oxide was synthesized from 8-hydroxyquinoline. A stirred solution of 8-hydroxyquinoline (25.00 g, 172.2 mmol) in 550 ml of CHCl3 was cooled to 0° C., and 3 -chloroperoxybenzoic acid (40.00 g, 80% Tech. grade *0.231 mmol=0.185 mmol) was added slowly over 3 minutes. The solution was kept at 0° C. and stirred for 3 hours. During this period, the 3-chlorobenzoic acid byproduct precipitated. The 3-chlorobenzoic acid was removed by filtration and the orange filtrate was concentrated to dryness and the remaining solid was triturated with 2% NH40 H (2*200 ml). The solid was isolated on a frit and washed with H2O.
synthesis of 8-hydroxyquinoline-N-oxide.png
[References]

[1] Naunyn-Schmiedeberg's Archives of Pharmacology, 1999, vol. 359, # 3, p. 168 - 177
[2] ChemCatChem, 2015, vol. 7, # 23, p. 3903 - 3910
[3] Patent: US2003/97000, 2003, A1
[4] Patent: US6617336, 2003, B1
[5] Organic Letters, 2011, vol. 13, # 14, p. 3556 - 3559
Spectrum DetailBack Directory
[Spectrum Detail]

8-Hydroxyquinoline-N-oxide(1127-45-3)IR
8-Hydroxyquinoline-N-oxide(1127-45-3)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

8-Hydroxyquinoline-N-oxide, 99%(1127-45-3)
[Sigma Aldrich]

1127-45-3(sigmaaldrich)
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