40127-89-7

Name 3-AMINO-6-(CHLOROMETHYL)-2-PYRAZINECARBONITRILE 4-OXIDE
CAS 40127-89-7
EINECS(EC#) 254-799-8
Molecular Formula C6H5ClN4O
MDL Number MFCD00006123
Molecular Weight 184.58
MOL File 40127-89-7.mol
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Chemical Properties

Melting point  144-146 °C(lit.)
Boiling point  594.4±50.0 °C(Predicted)
density  1.58±0.1 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMSO: soluble100mg/mL, clear, brown
pka -0.72±0.53(Predicted)
InChI 1S/C6H5ClN4O/c7-1-4-3-11(12)6(9)5(2-8)10-4/h3H,1,9H2
InChIKey MOTPZQHCPMUIMZ-UHFFFAOYSA-N
SMILES Nc1c(nc(CCl)c[n+]1[O-])C#N
CAS DataBase Reference 40127-89-7(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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