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3-Benzyloxyphenyl isothiocyanate Structure

3-Benzyloxyphenyl isothiocyanate

  • Product Name3-Benzyloxyphenyl isothiocyanate
  • CAS206559-36-6
  • CBNumberCB5384802
  • MFC14H11NOS
  • MW241.31
  • EINECS671-015-3
  • MDL NumberMFCD00060374
  • MOL File206559-36-6.mol

Chemical Properties

Melting point: 49-51°C
Boiling point: 398.3±25.0 °C(Predicted)
Density  1.09±0.1 g/cm3(Predicted)
storage temp.  Inert atmosphere,Room Temperature
form  solid
Appearance Off-white to light yellow Solid
Sensitive  Moisture Sensitive
InChI InChI=1S/C14H11NOS/c17-11-15-13-7-4-8-14(9-13)16-10-12-5-2-1-3-6-12/h1-9H,10H2
InChIKey QJLFNDXMZQJMDL-UHFFFAOYSA-N
SMILES C1(N=C=S)=CC=CC(OCC2=CC=CC=C2)=C1
CAS DataBase Reference 206559-36-6(CAS DataBase Reference)

Safety

Symbol(GHS)  Corrosion (GHS05)Skull and Crossbones (GHS06)
GHS05,GHS06
Signal word  Danger
Hazard statements  H302-H312-H314-H318-H331
Precautionary statements  P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
target organs Respiratory system
Hazard Codes  Xi,N,Xn
Risk Statements  20/22-36/37/38-50/53-43-41-37/38-20/21/22
Safety Statements  26-36/37/39-61-60
RIDADR  UN2811
WGK Germany  WGK 3
HazardClass  6.1
PackingGroup  III
HS Code  2930909099
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
NFPA 704:
1
3 0

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