ChemicalBook--->CAS DataBase List--->105174-97-8

105174-97-8

105174-97-8 Structure

105174-97-8 Structure
IdentificationBack Directory
[Name]

Ethyl 3-bromoisoxazole-5-carboxylate
[CAS]

105174-97-8
[Synonyms]

3-Bromo-5-(ethoxycarbonyl)isoxazole
ETHYL 3-BROMOISOXAZOLE-5-CARBOXYLATE
ethyl 3-broMo-1,2-oxazole-5-carboxylate
3-BROMO-ISOXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
5-Isoxazolecarboxylic acid, 3-bromo-, ethyl ester
[Molecular Formula]

C6H6BrNO3
[MDL Number]

MFCD04035587
[MOL File]

105174-97-8.mol
[Molecular Weight]

220.02
Chemical PropertiesBack Directory
[Boiling point ]

279.1±20.0 °C(Predicted)
[density ]

1.617±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

-7.47±0.50(Predicted)
[InChI]

InChI=1S/C6H6BrNO3/c1-2-10-6(9)4-3-5(7)8-11-4/h3H,2H2,1H3
[InChIKey]

BLFWSORQDIUISI-UHFFFAOYSA-N
[SMILES]

O1C(C(OCC)=O)=CC(Br)=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2934999090
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 3-bromoisoxazole-5-carboxylate(105174-97-8)1HNMR
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