Molecule structure of 4-Pyrazol-1-yl-benzaldehyde (CAS NO.99662-34-7):

IUPAC Name: 4-Pyrazol-1-ylbenzaldehyde 
Molecular Weight: 172.18332 g/mol
Molecular Formula: C₁₀H₈N₂O 
Density: 1.15 g/cm³
Melting Point: 82-83 °C
Boiling Point: 310.1 °C at 760 mmHg 
Flash Point: 141.3 °C
Index of Refraction: 1.604
Molar Refractivity: 51.39 cm³
Molar Volume: 149.2 cm³
Surface Tension: 46.7 dyne/cm  
Enthalpy of Vaporization: 55.09 kJ/mol
Vapour Pressure: 0.000613 mmHg at 25 °C
XLogP3: 1.7
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 172.063663
MonoIsotopic Mass: 172.063663
Topological Polar Surface Area: 34.9
Heavy Atom Count: 13
Canonical SMILES: C1=CN(N=C1)C2=CC=C(C=C2)C=O
InChI: InChI=1S/C10H8N2O/c13-8-9-2-4-10(5-3-9)12-7-1-6-11-12/h1-8H
InChIKey: PPGRDLZPSDHBIC-UHFFFAOYSA-N
Product Categories of 4-Pyrazol-1-yl-benzaldehyde (CAS NO.99662-34-7): Carbonyl Compounds;Heterocycles

Hazard Codes: Xi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25 
S24/25:Avoid contact with skin and eyes.
HazardClass: IRRITANT

 4-Pyrazol-1-yl-benzaldehyde (CAS NO.99662-34-7)  is also named as 4-(1H-Pyrazol-1-yl)benzaldehyde ; benzaldehyde, 4-(1H-pyrazol-1-yl)- ; 1-(4'-formylphenyl) pyrazole ; 4-(1H-pyrazol-1-yl)benzenecarbaldehyde .