3125-78-8

Name 3-CYANOPHENYL ISOTHIOCYANATE
CAS 3125-78-8
Molecular Formula C8H4N2S
MDL Number MFCD00041070
Molecular Weight 160.2
MOL File 3125-78-8.mol
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Chemical Properties

Melting point  64-66 °C(lit.)
Boiling point  303.1±25.0 °C(Predicted)
density  1.2628 (rough estimate)
refractive index  1.6000 (estimate)
storage temp.  Keep Cold
Water Solubility  102.7mg/L(25 ºC)
Sensitive  Moisture Sensitive
BRN  2803099
InChI 1S/C8H4N2S/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H
InChIKey UXCYPHCFQAFVFH-UHFFFAOYSA-N
SMILES S=C=Nc1cccc(c1)C#N
CAS DataBase Reference 3125-78-8(CAS DataBase Reference)

Safety Data

Hazard Codes  C,T
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
R42:May cause sensitization by inhalation.
Safety Statements 
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 1759 8/PG 3
WGK Germany  3
HazardClass  8
PackingGroup  III
HS Code  29309090
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Acute Tox. 4 Oral
Resp. Sens. 1
Skin Corr. 1B
Skin Sens. 1

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