Basic Information | Post buying leads | Suppliers |
Name |
1H-Pyrazole-4-carboxylicacid, 1-(3,5-dichlorophenyl)-5-propyl- |
EINECS | N/A |
CAS No. | 306936-60-7 | Density | 1.4 g/cm3 |
PSA | 55.12000 | LogP | 3.82980 |
Solubility | N/A | Melting Point |
169 °C |
Formula | C13H12Cl2N2O2 | Boiling Point | 457.6 °C at 760 mmHg |
Molecular Weight | 299.156 | Flash Point | 230.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(3,5-Dichlorophenyl)-5-propyl-1H-pyrazole-4-carboxylicacid; |
The CAS registry number of 1H-Pyrazole-4-carboxylicacid, 1-(3,5-dichlorophenyl)-5-propyl- is 306936-60-7. This chemical's molecular formula is C13H12Cl2N2O2 and molecular weight is 299.15. Its IUPAC name is called 1-(3,5-dichlorophenyl)-5-propyl-1H-pyrazole-4-carboxylic acid.
Physical properties of 1H-Pyrazole-4-carboxylicacid, 1-(3,5-dichlorophenyl)-5-propyl-: (1)ACD/LogP: 4.52; (2)ACD/LogD (pH 5.5): 2.64; (3)ACD/LogD (pH 7.4): 1.46; (4)ACD/BCF (pH 5.5): 21.29; (5)ACD/BCF (pH 7.4): 1.39; (6)ACD/KOC (pH 5.5): 91.08; (7)ACD/KOC (pH 7.4): 5.93; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.623; (12)Molar Refractivity: 75.08 cm3; (13)Molar Volume: 212.7 cm3; (14)Surface Tension: 48.7 dyne/cm; (15)Density: 1.4 g/cm3; (16)Flash Point: 230.5 °C; (17)Enthalpy of Vaporization: 75.63 kJ/mol; (18)Boiling Point: 457.6 °C at 760 mmHg; (19)Vapour Pressure: 3.63E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(Cl)cc(n1ncc(c1CCC)C(=O)O)c2
(2)InChI: InChI=1/C13H12Cl2N2O2/c1-2-3-12-11(13(18)19)7-16-17(12)10-5-8(14)4-9(15)6-10/h4-7H,2-3H2,1H3,(H,18,19)
(3)InChIKey: CIAUICOJDLJNBL-UHFFFAOYAK