ChemicalBook--->CAS DataBase List--->53857-57-1

53857-57-1

53857-57-1 Structure

53857-57-1 Structure
IdentificationMore
[Name]

5-Bromoindazole
[CAS]

53857-57-1
[Synonyms]

4-BROMO-1H-IMIDAZOLE
4-BROMOIMIDAZOLE
5-BROMO-1H-INDAZOLE
5-BROMOINDAZOLE
5-Bromo-1H-indazole 97%
5-Bromo-1H-indazole ,98%
[Molecular Formula]

C7H5BrN2
[MDL Number]

MFCD00047021
[Molecular Weight]

197.03
[MOL File]

53857-57-1.mol
Chemical PropertiesBack Directory
[Melting point ]

131-135 °C(lit.)
[Boiling point ]

333.8±15.0 °C(Predicted)
[density ]

1.770±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

12.74±0.40(Predicted)
[color ]

White to Light yellow to Light orange
[Detection Methods]

HPLC,NMR
[InChI]

InChI=1S/C7H5BrN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
[InChIKey]

STVHMYNPQCLUNJ-UHFFFAOYSA-N
[SMILES]

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

53857-57-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H318
[Precautionary statements ]

P280-P301+P312+P330-P305+P351+P338+P310
[Hazard Codes ]

T,Xn
[Risk Statements ]

R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
R41:Risk of serious damage to eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust .
S39:Wear eye/face protection .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

NI3517450
[Hazard Note ]

Harmful
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Dichloromethane-->Acetic acid-->Nitric acid-->Bromine-->Sodium nitrite-->Acetic anhydride-->Sodium sulfite-->Sodium acetate-->Calcium carbonate-->Fluoroboric acid-->Imidazole-->Tetrabutylammonium bromide-->Sodium thiosulfate pentahydrate-->Potassium Acetate-->18-Crown-6-->4-Bromo-2-methylaniline
[Preparation Products]

5-Iodo-1H-indazole
Hazard InformationBack Directory
[Chemical Properties]

White to light brown solid
[Uses]

5-bromo-1H-indazole (5-BIA) is an indazole compound that can be used as a raw material in organic synthesis for the preparation of compounds such as 5-Iodo-1H-indazole and 3,5-Dibromo-1H-indazole. 5-BIA and its derivatives (7-BIA) can also be used as a highly effective corrosion inhibitor for copper and the protective ability of 5-BIA is more prominent than that of 7-BIA. 5-BIA and its derivatives (7-BIA) can also be used as highly efficient corrosion inhibitors for copper, and 5-BIA has a more prominent protective ability than 7-BIA. 1.5 mM 5-BIA and 1.5 mM 7-BIA have corrosion inhibition efficiencies (ηE) as high as 97.1 % and 94.0 %, respectively[1].
[Synthesis]

In a dry 500 mL reaction flask, NaNO2 ( 3.89 g , 56.3 mmol) and water ( 10 m L ) were sequentially added to an acetic acid solution ( 300 mL ) of 4-bromo-o-toluidine ( 10.5 g , 56.3 mmol). The resulting reaction mixture was stirred at room temperature

[References]

[1] JIE ZENG . Adsorption films based on indazole derivatives for application to protect Cu in sulfuric acid: Experimental and theoretical approaches[J]. Journal of the Taiwan Institute of Chemical Engineers, 2023. DOI:10.1016/j.jtice.2023.105134.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Bromoindazole(53857-57-1)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-bromo-1H-indazole(53857-57-1)
[Sigma Aldrich]

53857-57-1(sigmaaldrich)
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