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Home > Encyclopedia > 5-Chloro-2-thienyl isocyanate

5-Chloro-2-thienyl isocyanate

5-Chloro-2-thienyl isocyanate structure

5-Chloro-2-thienyl isocyanate 

structure
  • CAS No:

    76537-13-8

  • Formula:

    C5H2ClNOS

  • Chemical Name:

    5-Chloro-2-thienyl isocyanate

  • Synonyms:

    2-Chloro-5-isocyanatothiophene;5-Chloro-2-thienyl isocyanate;Thiophene, 2-chloro-5-isocyanato-;2-Chloro-thiophene-5-isocyanate

5-Chloro-2-thienyl isocyanate Basic Attributes

160

158.95500

Characteristics

57.67000

2.36880

1.44

215℃

84℃

Safety Information

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P333+P313, P342+P311, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

5-Chloro-2-thienyl isocyanate Use and Manufacturing

2-Chloro-thiophene-5-isocyanate is used in the preparation of P2Y12 inhibitors, used in the treatment of platelet aggression illnesses.

Computed Properties

Molecular Weight:159.59
XLogP3:3.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:158.9545626
Monoisotopic Mass:158.9545626
Topological Polar Surface Area:57.7
Heavy Atom Count:9
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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