104777-39-1

Name 2-BROMO-1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE
CAS 104777-39-1
Molecular Formula C12H10BrNO2
MDL Number MFCD00173902
Molecular Weight 280.12
MOL File 104777-39-1.mol
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Chemical Properties

Melting point  46 °C
Boiling point  402.5±45.0 °C(Predicted)
density  1.461±0.06 g/cm3(Predicted)
Fp  >110°C
form  powder
pka -4.52±0.50(Predicted)
InChI 1S/C12H10BrNO2/c1-8-11(10(15)7-13)12(14-16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey QKOOGOQWNSWJFQ-UHFFFAOYSA-N
SMILES Cc1onc(-c2ccccc2)c1C(=O)CBr
CAS DataBase Reference 104777-39-1(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
WGK Germany  3
Hazard Note  Irritant
HS Code  2934999090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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