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Home > Encyclopedia > Thiocyanic acid, 2-chloroethyl ester

Thiocyanic acid, 2-chloroethyl ester

Thiocyanic acid, 2-chloroethyl ester structure

Thiocyanic acid, 2-chloroethyl ester 

structure
  • CAS No:

    928-57-4

  • Formula:

    C3H4ClNS

  • Chemical Name:

    Thiocyanic acid, 2-chloroethyl ester

  • Synonyms:

    Thiocyanic acid,2-chloroethyl ester;Ethane,1-chloro-2-thiocyanato-;2-Chloroethyl thiocyanate;NSC 196140

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Thiocyanic acid, 2-chloroethyl ester Basic Attributes

121.58900

121.59

213-177-6

196140

DTXSID90239145

2930909090

Characteristics

49.09000

1.43948

1.298 g/cm3 @ Temp: 15 °C

106 °C @ Press: 25 Torr

82.4ºC

1.504

Safety Information

UN 2810

23/24/25-32-36/38

S23-S26-S36/37/39-S45

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:121.59
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:120.9752980
Monoisotopic Mass:120.9752980
Topological Polar Surface Area:49.1
Heavy Atom Count:6
Complexity:64.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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