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Ethyl isothiocyanate Structure

Ethyl isothiocyanate

  • Product NameEthyl isothiocyanate
  • CAS542-85-8
  • CBNumberCB6853792
  • MFC3H5NS
  • MW87.14
  • EINECS208-831-2
  • MDL NumberMFCD00004820
  • MOL File542-85-8.mol

Chemical Properties

Melting point: −6 °C (lit.)
Boiling point: 132 °C
Density  1.00
vapor pressure  15.199hPa at 25℃
FEMA  4420 | ETHYL ISOTHIOCYANATE
refractive index  1.51
Flash point: 24 °C
storage temp.  Keep in dark place,Inert atmosphere,2-8°C
solubility  Chloroform (Sparingly), Ethyl Acetate (Soluble)
form  clear liquid
color  Colorless to Light yellow
Specific Gravity 0.995
PH 6.3 (H2O, 20℃)
Odor at 0.01 % in propylene glycol. pungent mustard garlic
Odor Type pungent
biological source synthetic
Water Solubility  Reacts with water. Soluble in chlorinated and aromatic hydrocarbons. Miscible in ethanol and ether.
Sensitive  Moisture Sensitive
Merck  14,3815
JECFA Number 1885
BRN  1737705
Dielectric constant 19.7(20℃)
Stability: Air Sensitive, Hygroscopic, Moisture Sensitive, Volatile
InChI 1S/C3H5NS/c1-2-4-3-5/h2H2,1H3
InChIKey HBNYJWAFDZLWRS-UHFFFAOYSA-N
SMILES CCN=C=S
LogP 1.47 at 25℃ and pH7
CAS DataBase Reference 542-85-8(CAS DataBase Reference)
EPA Substance Registry System Ethane, isothiocyanato- (542-85-8)

Safety

Symbol(GHS)  Flame (GHS02)Corrosion (GHS05)Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS02,GHS05,GHS06,GHS08,GHS09
Signal word  Danger
Hazard statements  H226-H301+H311+H331-H314-H334-H400
Precautionary statements  P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes  T,N,F
Risk Statements  10-23/24/25-34-42/43-50-36/37
Safety Statements  23-26-36/37/39-45-61-16-7/9
RIDADR  UN 3286 3/PG 2
WGK Germany  3
RTECS  NX8590000
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  II
HS Code  2930909099
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Aquatic Acute 1
Flam. Liq. 3
Resp. Sens. 1
Skin Corr. 1B
REACH Registrations Active
Limited Quantities 5.0 L (1.3 gallons) (liquid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
NFPA 704:
3
2 0

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Ethyl isothiocyanate Chemical Properties,Usage,Production

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