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Home > Encyclopedia > 2-CHLOROBENZOYLISOTHIOCYANATE

2-CHLOROBENZOYLISOTHIOCYANATE

2-CHLOROBENZOYLISOTHIOCYANATE structure

2-CHLOROBENZOYLISOTHIOCYANATE 

structure
  • CAS No:

    5067-90-3

  • Formula:

    C8H4ClNOS

  • Chemical Name:

    2-CHLOROBENZOYLISOTHIOCYANATE

  • Synonyms:

    2-chlorobenzoyl isothiocyanate;2-Chloro-benzoyl isothiocyanate;Benzoyl isothiocyanate, chloro-;SCHEMBL3048180;Benzoyl isothiocyanate,2-chloro-;CTK2B3694;DTXSID70964908;ZINC2575492;4486AE;AKOS005202642

2-CHLOROBENZOYLISOTHIOCYANATE Basic Attributes

197.64100

196.97000

2930909090

Characteristics

61.52000

2.58300

1.29g/cm3

130ºC

130 °C

135.1ºC

1.606

Safety Information

2927

R20/21/22

S26-S36/37/39

Xi,C

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Danger|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:197.64
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:196.9702126
Monoisotopic Mass:196.9702126
Topological Polar Surface Area:61.5
Heavy Atom Count:12
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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