91182-58-0

Name 3-(4-bromophenyl)-5-methylisoxazole-4-carboxylic acid
CAS 91182-58-0
Molecular Formula C11H8BrNO3
MDL Number MFCD07376078
Molecular Weight 282.09
MOL File 91182-58-0.mol
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Chemical Properties

Melting point  216-218 °C
Boiling point  411.4±40.0 °C(Predicted)
density  1.605±0.06 g/cm3(Predicted)
storage temp.  2-8°C
form  powder
pka 2.18±0.25(Predicted)
color  White
InChI 1S/C11H8BrNO3/c1-6-9(11(14)15)10(13-16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)
InChIKey DTWRRPFCWHWFSM-UHFFFAOYSA-N
SMILES Cc1onc(-c2ccc(Br)cc2)c1C(O)=O

Safety Data

Hazard Codes  Xn
Risk Statements 
WGK Germany  3
HS Code  2934999090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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