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2458-26-6

Name 3-Phenyl-1H-pyrazole
CAS 2458-26-6
EINECS(EC#) 222-099-1
Molecular Formula C9H8N2
MDL Number MFCD00159654
Molecular Weight 144.17
MOL File 2458-26-6.mol
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Chemical Properties

Appearance white to yellowish-orange powder
Melting point  75-77 °C
Boiling point  314°C(lit.)
density  1.1357 (rough estimate)
refractive index  1.5960 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  Powder
pka 13.52±0.10(Predicted)
color  White to yellow-orange
InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)
InChIKey OEDUIFSDODUDRK-UHFFFAOYSA-N
SMILES N1C=CC(C2=CC=CC=C2)=N1
CAS DataBase Reference 2458-26-6(CAS DataBase Reference)
NIST Chemistry Reference 3(5)-phenylpyrazole(2458-26-6)

Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
RTECS  UQ7950000
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29331990

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