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Home> Hot Product Listed T   > Thiocyanic acid,1-chloro-1,2-ethanediyl ester (9CI)
123-94-4 structure

Thiocyanic acid,1-chloro-1,2-ethanediyl ester (9CI)

Iupac Name:2,3-dihydroxypropyl octadecanoate
CAS No.:123-94-4
Molecular Weight:358.56
Molecular Formula: (isomer)
Properties
Density
1.588
Melting Point
78-81 °C
Flash Point
293.8°C
Safety and Handling
Safety Statements
24/25
Safety

A poison by ingestion. When heated to decomposition, Chloroethylene bisthiocyanate (CAS NO.24689-89-2) emits toxic vapors of NOx, SOx, and Cl.

Toxicity
1.    

orl-rat LD50:98 mg/kg

    DIMCAL    Developments in Industrial Microbiology. 12 (1971),404.
Specification

 Chloroethylene bisthiocyanate , its cas register number is 24689-89-2. It also can be called Thiocyanic acid, 1-chloro-1,2-ethanediyl ester ; and Thiocyanic acid, chloroethylene ester .

Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:358.56g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:7.4
  • Exact Mass:358.308
  • Monoisotopic Mass:358.308
  • Complexity:281
  • Rotatable Bond Count:20
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:66.8A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgAI AACQCAAAAAAAAAAAAAEAAAABEBIAAAACQAAFAAADAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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