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Home > Encyclopedia > 2-BROMO-1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE

2-BROMO-1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE

2-BROMO-1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE structure

2-BROMO-1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE 

structure
  • CAS No:

    104777-39-1

  • Formula:

    C12H10BrNO2

  • Chemical Name:

    2-BROMO-1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE

  • Synonyms:

    4-(BROMOACETYL)-5-METHYL-3-PHENYLISOXASOLE;4-BROMOACETYL-5-METHYL-3-PHENYLISOXAZOLE;2-BROMO-1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE;2-BROMO-1-(5-METHYL-3-PHENYLISOXAZOLE-4-YL)ETHAN-1-ONE;BUTTPARK 43\57-07;2-Bromo-1-(5-methyl-3-phenylisoxazole-4-yl)ethane-1-one;2-Bromo-1-(5-methyl-3-phenylisoxazol-4-yl)ethanone;2-Bromo-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethan-1-one

2-BROMO-1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE Basic Attributes

280.12

278.989471

DTXSID00370775

2934999090

Characteristics

43.1

1.81

1.461±0.06 g/cm3(Predicted)

46 °C

402.5±45.0 °C(Predicted)

>110°C

1.580

1.09E-06mmHg at 25°C

Safety Information

3

36/37/38-22

26-36/37/39

Xi,Xn

Irritant

P264, P270, P301+P312, P330, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:280.12
XLogP3:2.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:278.98949
Monoisotopic Mass:278.98949
Topological Polar Surface Area:43.1
Heavy Atom Count:16
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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