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Benzaldehyde,2-(1H-pyrazol-1-yl)- (138479-47-7)

Identification
Name:Benzaldehyde,2-(1H-pyrazol-1-yl)-
Synonyms:2-(Pyrazol-1-yl)benzaldehyde;2-Pyrazol-1-yl-benzaldehyde;
CAS:138479-47-7
Molecular Formula: C10H8N2O
Molecular Weight: 172.18
InChI: InChI=1/C10H8N2O/c13-8-9-4-1-2-5-10(9)12-7-3-6-11-12/h1-8H
Molecular Structure: (C10H8N2O) 2-(Pyrazol-1-yl)benzaldehyde;2-Pyrazol-1-yl-benzaldehyde;
Properties
Flash Point: 145.2°C
Boiling Point: 316.5°Cat760mmHg
Density:1.15g/cm3
Refractive index:1.604
Appearance:Light yellow powder
Specification:

The IUPAC name of 2-Pyrazol-1-yl-benzaldehyde is 2-pyrazol-1-ylbenzaldehyde. With the CAS registry number 138479-47-7, it is also named as Benzaldehyde,2-(1H-pyrazol-1-yl)-. The producty is harmful. In addition, its molecular formula is C10H8N2O and its molecular weight is 172.18. 

The other characteristics of 2-Pyrazol-1-yl-benzaldehyde can be summarized as: (1)XLogP3-AA: 1.4; (2)H bond acceptors: 3; (3)H bond donors: 0; (4)Freely Rotating Bonds: 2; (5)Heavy Atom Count: 13; (6)Complexity: 184; (7)Polar Surface Area: 34.89 Å2; (8)Index of Refraction: 1.604; (9)Molar Refractivity: 51.39 cm3; (10)Molar Volume: 149.2 cm3; (11)Polarizability: 20.37×10-24cm3; (12)Surface Tension: 46.7 dyne/cm; (13)Density: 1.15 g/cm3; (14)Flash Point: 145.2 °C; (15)Melting Point: 58 °C; (16)Enthalpy of Vaporization: 55.79 kJ/mol; (17)Boiling Point: 316.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000408 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:O=Cc1ccccc1n2nccc2
InChI:InChI=1/C10H8N2O/c13-8-9-4-1-2-5-10(9)12-7-3-6-11-12/h1-8H
InChIKey:KIGZYDJKBTYFBZ-UHFFFAOYAD
Std. InChI:InChI=1S/C10H8N2O/c13-8-9-4-1-2-5-10(9)12-7-3-6-11-12/h1-8H
Std. InChIKey:KIGZYDJKBTYFBZ-UHFFFAOYSA-N

Flash Point: 145.2°C
Safety Data
Hazard Symbols Harmful:
 

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