ChemicalBook--->CAS DataBase List--->552331-49-4

552331-49-4

552331-49-4 Structure

552331-49-4 Structure
IdentificationBack Directory
[Name]

1-BOC-5-BROMO-INDAZOLE
[CAS]

552331-49-4
[Synonyms]

N-BOC-5-BROMO INDAZOLE
1-BOC-5-BROMO-3-METHYL-1H-INDAZOLE
tert-butyl 5-bromo-3-methyl-1H-indazole-1-carboxylate
5-Bromo-3-methyl-indazole-1-carboxylic acid tert-butyl ester
1H-Indazole-1-carboxylic acid, 5-bromo-3-methyl-, 1,1-dimethylethyl ester
[Molecular Formula]

C13H15BrN2O2
[MDL Number]

MFCD08435913
[MOL File]

552331-49-4.mol
[Molecular Weight]

311.17
Chemical PropertiesBack Directory
[Boiling point ]

393.5±34.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[form ]

solid
[pka]

-1.91±0.50(Predicted)
[Appearance]

White to light brown Solid
[InChI]

1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-10-5-4-9(13)6-8(10)7-14-15/h4-7H,1-3H3
[InChIKey]

CAQGDWLRIQCXSP-UHFFFAOYSA-N
[SMILES]

BrC1=CC=C2N(C(OC(C)(C)C)=O)N=CC2=C1
Safety DataBack Directory
[Symbol(GHS) ]


GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P301+P310
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

WGK 3
[Storage Class]

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

Acute Tox. 3 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

1-BOC-5-BROMO-INDAZOLE(552331-49-4)1HNMR
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