ChemicalBook--->CAS DataBase List--->19335-11-6

19335-11-6

19335-11-6 Structure

19335-11-6 Structure
IdentificationMore
[Name]

5-AMINOINDAZOLE
[CAS]

19335-11-6
[Synonyms]

1H-INDAZOL-5-AMINE
1H-INDAZOLE-5-AMINE
5-AMINO (1H)INDAZOLE
5-AMINOBENZOPYRAZOLE
5-AMINOINDAZOLE
IFLAB-BB F2108-0020
LABOTEST-BB LT00080768
TIMTEC-BB SBB006576
1H-Indazole, 5-amino-
5-amino-1h-indazol
indazol-5-ylamine
5-indazolamine
5-Aminoindazole 98%
[EINECS(EC#)]

242-971-5
[Molecular Formula]

C7H7N3
[MDL Number]

MFCD00037975
[Molecular Weight]

133.15
[MOL File]

19335-11-6.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powde
[Melting point ]

175-178 °C (lit.)
[Boiling point ]

235.67°C (rough estimate)
[density ]

1.1873 (rough estimate)
[refractive index ]

1.5341 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

14.52±0.40(Predicted)
[color ]

White to Brown
[Detection Methods]

HPLC
[BRN ]

3259
[InChI]

InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)
[InChIKey]

XBTOSRUBOXQWBO-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=C(N)C=C2)C=N1
[CAS DataBase Reference]

19335-11-6(CAS DataBase Reference)
[EPA Substance Registry System]

5-Aminoindazole (19335-11-6)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H315-H319-H335
[Precautionary statements ]

P301+P310+P330-P302+P352-P305+P351+P338
[Hazard Codes ]

T,Xn
[Risk Statements ]

R25:Toxic if swallowed.
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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

NK7711000
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29339900
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic acid-->Sodium nitrite-->Palladium-->2-Methyl-4-nitroaniline-->5-Nitroindazole-->Hydrogen-->Tetrahydrofuran
[Preparation Products]

5-Nitroindazole-->1H-Indazol-5-ol-->5-Iodo-1H-indazole-->4-Nitro-1H-indazol-5-aMine-->1-(1H-indazol-5-yl)thiourea-->N-(1H-indazol-5-yl)acetamide-->3-CHLORO-1H-INDAZOL-5-AMINE
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powde
[Uses]

5-Amino-1H-indazole is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
[Application]

1H-Indazol-5-amine is a useful research chemical, an indazole derivatives with anti- inflammatory properties.
[Synthesis]

5-Nitroindazole

5401-94-5

5-AMINOINDAZOLE

19335-11-6

General procedure for the synthesis of 5-aminoindazole from 5-nitroindazole: To a 5000 mL autoclave equipped with a hydrogen inlet, thermometer, and mechanical stirrer, a tetrahydrofuran solution (THF, 3500 mL) of 5-nitro-1H-indazole (500 g, 3.06 mol) was added. Palladium-carbon catalyst (10%, 50 g, 141 mmol) was subsequently added. The reaction mixture was stirred overnight at 25 °C under hydrogen atmosphere (5 kg pressure). Upon completion of the reaction, the system was purged with nitrogen and the mixture was subsequently filtered. The filtrate was concentrated under vacuum to give 5-aminoindazole as a brown solid (420 g, 100% yield). Mass spectrometry (MS) data: m/z 134.1 ([M+H]+).

[References]

[1] Patent: US2012/28984, 2012, A1. Location in patent: Page/Page column 3
[2] Patent: WO2006/71940, 2006, A2. Location in patent: Page/Page column 409
[3] Patent: US2008/90856, 2008, A1. Location in patent: Page/Page column 45
[4] Patent: WO2013/36232, 2013, A2. Location in patent: Paragraph 00321
[5] MedChemComm, 2016, vol. 7, # 5, p. 881 - 899
Spectrum DetailBack Directory
[Spectrum Detail]

5-AMINOINDAZOLE(19335-11-6)MS
5-AMINOINDAZOLE(19335-11-6)1HNMR
5-AMINOINDAZOLE(19335-11-6)IR1
5-AMINOINDAZOLE(19335-11-6)IR2
5-AMINOINDAZOLE(19335-11-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Aminoindazole, 97%(19335-11-6)
[Alfa Aesar]

5-Amino-1H-indazole, 98%(19335-11-6)
[Sigma Aldrich]

19335-11-6(sigmaaldrich)
[TCI AMERICA]

5-Aminoindazole,>97.0%(T)(19335-11-6)
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