4-Phenyl-1H-pyrazole supplier

Name
4-PHENYLPYRAZOLE
EINECS
CAS No. 10199-68-5
Article Data26
CAS DataBase
Density 1.141 g/cm³
Solubility
Melting Point 230-231℃
Formula C₉H₈N₂
Boiling Point 340.9 °C at 760 mmHg
Molecular Weight 144.176
Flash Point 165 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazole,4-phenyl- (6CI,7CI,8CI);4-Phenyl-1H-pyrazole;4-Phenylpyrazole;
PSA 28.68000
LogP 2.07670

4-Phenyl-1H-pyrazole Specification

The IUPAC name of 4-Phenyl-1H-pyrazole is 4-phenyl-1H-pyrazole. With the CAS registry number 10199-68-5, it is also named as 4-Phenylpyrazole. In addition, its molecular formula is C₉H₈N₂ and its molecular weight is 144.17322.

The other characteristics of 4-Phenyl-1H-pyrazole can be summarized as: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 22.19; (6)ACD/BCF (pH 7.4): 22.22; (7)ACD/KOC (pH 5.5): 319.92; (8)ACD/KOC (pH 7.4): 320.34; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 43.36 cm³; (15)Molar Volume: 126.2 cm³; (16)Polarizability: 17.19×10^-24cm³; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.141 g/cm³; (19)Flash Point: 165 °C; (20)Enthalpy of Vaporization: 56.14 kJ/mol; (21)Boiling Point: 340.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000165 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: n2cc(c1ccccc1)cn2
(2)InChI: InChI=1/C9H8N2/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H,(H,10,11)
(3)InChIKey: GPGKNEKFDGOXPO-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H,(H,10,11)
(5)Std. InChIKey: GPGKNEKFDGOXPO-UHFFFAOYSA-N

Product Name

4-PHENYLPYRAZOLE

4-Phenyl-1H-pyrazole Specification

Related Products

Hot Products