Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Phenyl-1H-pyrazole-4-carboxylic acid |
EINECS | N/A |
CAS No. | 5504-65-4 | Density | 1.356 g/cm3 |
PSA | 65.98000 | LogP | 1.77490 |
Solubility | N/A | Melting Point |
278 °C |
Formula | C10H8N2O2 | Boiling Point | 429.978 °C at 760 mmHg |
Molecular Weight | 188.186 | Flash Point | 213.843 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | 22 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Phenyl-1H-pyrazole-4-carboxylic acid; |
Article Data | 5 |
This chemical's CAS registry number is 5504-65-4 and it also known as 5-Phenyl-1H-pyrazole-4-carboxylic acid. It belongs to the product categories of Carboxylic Acids; Pyrazoles & Triazoles; Heterocyclic Compounds; Carboxylic Acids; Pyrazoles & Triazoles; Building Blocks; Heterocyclic Building Blocks; Pyrazoles. This chemical's molecular formula is C10H8N2O2 and molecular weight is 188.1827. What's more, its systematic name is called 3-Phenyl-1H-pyrazole-4-carboxylic acid.
Physical properties about 3-Phenyl-1H-pyrazole-4-carboxylic acid are: (1)ACD/LogP: 1.84; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.067; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 65.98 Å2; (11)Index of Refraction: 1.645; (12)Molar Refractivity: 50.299 cm3; (13)Molar Volume: 138.794 cm3; (14)Polarizability: 19.94×10-24 cm3; (15)Surface Tension: 66.611 dyne/cm; (16)Density: 1.356 g/cm3; (17)Flash Point: 213.843 °C; (18)Enthalpy of Vaporization: 72.245 kJ/mol; (19)Boiling Point: 429.978 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C; (21)Melting Point: 278 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes and skin. Therefore, you should avoid contact with skin and eyes. Make sure do not breathe dust.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)c2c(c[nH]n2)C(=O)O
(2) InChI: InChI=1/C10H8N2O2/c13-10(14)8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
(3) InChIKey: LGTJKUYVFSBOMC-UHFFFAOYAN