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ChemicalBook--->CAS DataBase List--->5401-94-5

5401-94-5

5401-94-5 Structure

5401-94-5 Structure
IdentificationMore
[Name]

5-Nitroindazole
[CAS]

5401-94-5
[Synonyms]

3-HYDROXY-N-METHYL-3-PHENYLPROPYLAMINE
3-METHYLAMINO-1-PHENYL-1-PROPANOL
3-(METHYLAMINO)-1-PHENYLPROPAN-1-OL
3-METHYLAMINO-1-PHENYLPROPANOL
5-NITRO-1H-INDAZOLE
5-NITROINDAZOLE
ALPHA-(2-METHYLAMINO)-ETHYLBENZENEMETHANOL
ALPHA-[2-(METHYLAMINO)ETHYL]BENZYL ALCOHOL
LABOTEST-BB LT00453610
N-METHYL-3-HYDROXY-3-PHENYL PROPYLAMINE
N-METHYL-3-PHENYL-3-HYDROXYPROPYLAMINE
1H-Indazole,5-nitro-
5-nitro-1h-indazol
5-NITROINDAZOLE, 99+%
5-Nitroindazole, 98+%
5-Nitroindazol
5-NITRO-1H-INDAZOLE 99+%
5-Nitro-1H-indazole, 98+%
[EINECS(EC#)]

226-451-5
[Molecular Formula]

C7H5N3O2
[MDL Number]

MFCD00674078
[Molecular Weight]

163.13
[MOL File]

5401-94-5.mol
Chemical PropertiesBack Directory
[Appearance]

light yellow crystal
[Melting point ]

207 °C
[Boiling point ]

383.3±15.0 °C(Predicted)
[density ]

1.525±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

11.71±0.40(Predicted)
[color ]

White to Light red to Green
[Detection Methods]

HPLC ,NMR
[BRN ]

7936
[CAS DataBase Reference]

5401-94-5(CAS DataBase Reference)
[EPA Substance Registry System]

5401-94-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R68:Possible risk of irreversible effects.
R36:Irritating to the eyes.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

2
[RTECS ]

NK7962000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29339990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Methyl-4-nitroaniline-->5-AMINOINDAZOLE-->N-(1)-BOC-5-NITRO-INDAZOLE-->2-Fluoro-5-nitrobenzaldehyde-->Indazole-->5-Nitrosalicylaldehyde
[Preparation Products]

1H-Indazol-5-ol-->1-BOC-5-AMINO-INDAZOLE-->1-METHYL-1H-INDAZOL-5-AMINE-->5-AMINO-3-PHENYL-1H-INDAZOLE-->5-Iodo-1H-indazole-->(5-nitroindazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone-->1-(Piperidin-4-yl)-1H-indazol-5-aMine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Nitroindazole(5401-94-5).msds
Hazard InformationBack Directory
[Chemical Properties]

light yellow crystal
[Uses]

5-Nitroindazole inhibits citrulline formation by Ca2+-calmodulin (CaM)-dependent nitric oxide synthase from bovine brain. Nitration of 5-nitroindazole with nitric acid and acetic anhydride yields 3,5-dintroindazole and 2,5-dinitroindazole.
[Synthesis Reference(s)]

Journal of Heterocyclic Chemistry, 21, p. 1063, 1984 DOI: 10.1002/jhet.5570210428
Organic Syntheses, Coll. Vol. 3, p. 660, 1955
Spectrum DetailBack Directory
[Spectrum Detail]

5-Nitroindazole(5401-94-5)1HNMR
5-Nitroindazole(5401-94-5)IR1
5-Nitroindazole(5401-94-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

5-Nitro-1H-indazole, 98+%(5401-94-5)
[Sigma Aldrich]

5401-94-5(sigmaaldrich)
[TCI AMERICA]

5-Nitroindazole,>98.0%(GC)(5401-94-5)
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