54029-45-7

Name 2-Nitro-4-thiocyanatoaniline
CAS 54029-45-7
EINECS(EC#) 258-931-5
Molecular Formula C7H5N3O2S
MDL Number MFCD00463878
Molecular Weight 195.2
MOL File 54029-45-7.mol
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Chemical Properties

Melting point  113 °C (lit.)
Boiling point  378.9±32.0 °C(Predicted)
density  1.50±0.1 g/cm3(Predicted)
storage temp.  Keep in dark place,Inert atmosphere,2-8°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka -2.09±0.10(Predicted)
color  Yellow
InChI InChI=1S/C7H5N3O2S/c8-4-13-5-1-2-6(9)7(3-5)10(11)12/h1-3H,9H2
InChIKey QUWHIBBGKKRYFW-UHFFFAOYSA-N
SMILES S(C1=CC=C(N)C([N+]([O-])=O)=C1)C#N

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
HS Code  2930909899

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