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Home > Encyclopedia > 1-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone

1-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone

1-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone structure

1-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone 

structure
  • CAS No:

    1125812-58-9

  • Formula:

    C9H3ClF6O

  • Chemical Name:

    1-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone

  • Synonyms:

    Ethanone,1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoro-;1-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone;1-[3-Chloro-5-trifluoromethylphenyl]-2,2,2-trifluoroethanone

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

1-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone Basic Attributes

276.5629392

276.56

808-269-3

DTXSID40696901

2914700090

Characteristics

17.1

4.24

1.512

203℃

77℃

1.424

Safety Information

P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, P501

H302

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:276.56
XLogP3:4.2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:275.9776614
Monoisotopic Mass:275.9776614
Topological Polar Surface Area:17.1
Heavy Atom Count:17
Complexity:297
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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