Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Pyrazole-4-carboxaldehyde,3-(4-fluorophenyl)- |
EINECS | N/A |
CAS No. | 306936-57-2 | Density | 1.337 g/cm3 |
PSA | 45.75000 | LogP | 2.02830 |
Solubility | N/A | Melting Point |
160 °C |
Formula | C10H7FN2O | Boiling Point | 416 °C at 760 mmHg |
Molecular Weight | 190.177 | Flash Point | 205.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde;1H-Pyrazole-4-carboxaldehyde, 5-(4-fluorophenyl)-;5-(4-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde; |
Article Data | 11 |
The 1H-Pyrazole-4-carboxaldehyde,3-(4-fluorophenyl)-, with the CAS registry number 306936-57-2, is also known as 3-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde. It belongs to the product categories of Aldehydes; Pyrazoles & Triazoles; Pyrazoles & Triazoles; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrazoles. This chemical's molecular formula is C10H7FN2O and molecular weight is 190.17. What's more, its IUPAC name is 5-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde.
Physical properties of 1H-Pyrazole-4-carboxaldehyde,3-(4-fluorophenyl)- are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.27; (6)ACD/BCF (pH 7.4): 4.26; (7)ACD/KOC (pH 5.5): 98.32; (8)ACD/KOC (pH 7.4): 98.27; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 50.11 cm3; (15)Molar Volume: 142.1 cm3; (16)Polarizability: 19.86×10-24cm3; (17)Surface Tension: 54.7 dyne/cm; (18)Density: 1.337 g/cm3; (19)Flash Point: 205.4 °C; (20)Enthalpy of Vaporization: 66.91 kJ/mol; (21)Boiling Point: 416 °C at 760 mmHg; (22)Vapour Pressure: 3.96E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc(c1c(cnn1)C=O)cc2
(2)Std. InChI: InChI=1S/C10H7FN2O/c11-9-3-1-7(2-4-9)10-8(6-14)5-12-13-10/h1-6H,(H,12,13)
(3)Std. InChIKey: CMXTUUXWJBLVEH-UHFFFAOYSA-N