Isothiocyanatoethane | CAS No. 542-85-8

Isothiocyanatoethane

Basic Information

CAS Number

542-85-8

Molecular Formula

C3H5NS

Molecular Weight

87.15 g/mol

AD

Basic Physical Properties

Melting Point

−6 °C

Boiling Point

132°C

Water Solubility

Reacts with water. Soluble in chlorinated and aromatic hydrocarbons. Miscible in ethanol and ether.

Refractive Index

n20/D 1.512(lit.)

CCN=C=S

InChI

InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3

InChIKey

HBNYJWAFDZLWRS-UHFFFAOYSA-N

LogP

1.1091

Topological Polar Surface Area

12.36 Ų

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

53.9

Safety Information

View Safety Information

GHS Hazard Pictograms

H226H226
H301H301
H311H311
H314H314
H331H331
H334H334
H400H400

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids
H301 Toxic if swallowed
Acute toxicity, oral
H311 Toxic in contact with skin
Acute toxicity, dermal
H314 Causes severe skin burns and eye damage
Skin corrosion/irritation
H331 Toxic if inhaled
Acute toxicity, inhalation
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory
H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

  • EN300-19657
  • Ethyl isothiocyanate, 97%
  • FEMA NO. 4420
  • ETHYLISOTHIOCYANATE
  • ethylisothio-cyanate
  • ETHYL ISOTHIOCYANATE [MI]
  • F0001-1427
  • CHEBI:85098
  • Isothiocyanatoethane
  • MFCD00004820
  • CCRIS 7323
  • NS00022345
  • Ethane, isothiocyanato-
  • NSC-84212
  • NSC84212
  • UNII-3284MJ2T8P
  • Isothiocyanic Acid Ethyl Ester
  • FT-0627522
  • ETHYL ISOTHIOCYANATE [FHFI]
  • NSC 84212
  • 542-85-8
  • 1-Isothiocyanatoethane #
  • CHEMBL2251727
  • DTXSID2060258
  • Ethyl isothiocyanate
  • I0188
  • J-521605
  • AKOS000119775
  • isothiocyanato-ethane
  • Q27158332
  • Isothiocyanic acid, ethyl ester

MDL Number

MFCD00004820

Customs Code

2930909090

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