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3-Bromoisoxazole

3-Bromoisoxazole structure

3-Bromoisoxazole 

structure
  • CAS No:

    111454-71-8

  • Formula:

    C3H2BrNO

  • Chemical Name:

    3-Bromoisoxazole

  • Synonyms:

    ISOXAZOLE, 3-BROMO-;Isoxazole, 3-bromo- (9CI);3-Bromoisoxazole;3-broMo-1,2-oxazole

  • Categories:

    Chemical Reagents  >  Organic Reagents

3-Bromoisoxazole Basic Attributes

147.96

146.931976

DTXSID00552852

2934999090

Characteristics

26

1.4

1.812±0.06 g/cm3(Predicted)

102-106 °C

182.7±13.0 °C(Predicted)

64.3±19.8 °C

1.508

1.092mmHg at 25°C

Safety Information

22

Xn

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:147.96
XLogP3:1.4
Hydrogen Bond Acceptor Count:2
Exact Mass:146.93198
Monoisotopic Mass:146.93198
Topological Polar Surface Area:26
Heavy Atom Count:6
Complexity:50.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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