CAS No.54605-72-0,1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE Suppliers

Products Categories

Pharmaceutical (50)
Organic Chemicals (11)
Others (6)
Reagent (1)

Basic Information

Molecular Structure:
CAS No.:	54605-72-0
Name:	1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
Article Data:	26

Formula:	C₁₀H₈N₂O
Molecular Weight:	172.186
Synonyms:	Pyrazole-4-carboxaldehyde,1-phenyl- (6CI);1-Phenyl-1H-pyrazole-4-carboxaldehyde;1-Phenylpyrazole-4-carboxaldehyde;4-Formyl-1-phenylpyrazole;
Density:	1.15g/cm³
Melting Point:	85-88°C
Boiling Point:	312.7 °C at 760 mmHg
Flash Point:	142.9 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38-20/21/22
Safety:	26-37/39-36/37-3/7
PSA:	34.89000
LogP:	1.68480

Total:63 Page 1 of 2 1 2 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 54605-72-0

Specification

The 1-Phenyl-1H-pyrazole-4-carboxaldehyde, with CAS registry number 54605-72-0, belongs to the following product categories: (1)Azoles; (2)blocks. It has the systematic name of 1-phenyl-1H-pyrazole-4-carbaldehyde. And its IUPAC name is 1-phenylpyrazole-4-carbaldehyde.

Physical properties of 1-Phenyl-1H-pyrazole-4-carboxaldehyde: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 34.89 Å²; (7)Index of Refraction: 1.604; (8)Molar Refractivity: 51.39 cm³; (9)Molar Volume: 149.2 cm³; (10)Polarizability: 20.37×10^-24cm³; (11)Surface Tension: 46.7 dyne/cm; (12)Enthalpy of Vaporization: 55.37 kJ/mol; (13)Vapour Pressure: 0.00052 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-aminopyrimidine-5-carbaldehyde phenylhydrazone. This reaction will need reagent HCl and solvent methanol. The yield is about 83%.

Uses of 1-Phenyl-1H-pyrazole-4-carboxaldehyde: it can be used to produce 4-bromo-1-phenyl-1H-pyrazole. This reaction will need reagent Br₂ and solvent acetic acid. The reaction time is 30 min. The yield is about 46%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cn(nc1)c2ccccc2
(2)InChI: InChI=1/C10H8N2O/c13-8-9-6-11-12(7-9)10-4-2-1-3-5-10/h1-8H
(3)InChIKey: PHVRLPFVPVKYOI-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C10H8N2O/c13-8-9-6-11-12(7-9)10-4-2-1-3-5-10/h1-8H
(5)Std. InChIKey: PHVRLPFVPVKYOI-UHFFFAOYSA-N