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Home > Encyclopedia > 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid structure

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid 

structure
  • CAS No:

    3919-74-2

  • Formula:

    C11H7ClFNO3

  • Chemical Name:

    3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid

  • Synonyms:

    4-Isoxazolecarboxylic acid,3-(2-chloro-6-fluorophenyl)-5-methyl-;3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid;3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid

  • Categories:

    Analytical Chemistry  >  Standard

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid Basic Attributes

255.63

255.63

806523

223-486-8

DTXSID60192430

2934999090

Characteristics

63.33000

3.14070

1.388g/cm3

206-207 °C

314.6ºC at 760 mmHg

144.1ºC

1.533

Safety Information

36/37/38-37/38-36

26-36/37/39-37/39-36

Xi

Irritant

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

H302

|Warning|H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid Use and Manufacturing

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic Acid is an impurity of Flucloxacillin (F419200), a new semisynthetic penicillin

Computed Properties

Molecular Weight:255.63
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:255.0098489
Monoisotopic Mass:255.0098489
Topological Polar Surface Area:63.3
Heavy Atom Count:17
Complexity:304
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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