3694-57-3

Name 4-METHOXYBENZYL ISOTHIOCYANATE
CAS 3694-57-3
EINECS(EC#) 671-089-7
Molecular Formula C9H9NOS
MDL Number MFCD00041117
Molecular Weight 179.24
MOL File 3694-57-3.mol
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Chemical Properties

Appearance clear yellow liquid
Boiling point  170-175 °C (16 mmHg)
density  1.0872
refractive index  1.591-1.598
Fp  132-133°C/0.7mm
storage temp.  -20°C
solubility  DMSO, Ethyl Acetate (Slightly)
form  Crystalline Powder and/or Chunks
color  White
Specific Gravity 1.18
Water Solubility  Hydrolyzes in water.
Sensitive  Moisture Sensitive
BRN  2089549
InChI InChI=1S/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3
InChIKey IMFQYAJJXFXVMM-UHFFFAOYSA-N
SMILES C1(CN=C=S)C=CC(OC)=CC=1
CAS DataBase Reference 3694-57-3(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR  2810
HazardClass  6.1
PackingGroup  III
HS Code  29309099

Hazard Information

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