Products Categories
CAS No.: | 306936-60-7 |
---|---|
Name: | 1-(3,5-DICHLOROPHENYL)-5-PROPYL-1H-PYRAZOLE-4-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C13H12Cl2N2O2 |
Molecular Weight: | 299.156 |
Synonyms: | 1-(3,5-Dichlorophenyl)-5-propyl-1H-pyrazole-4-carboxylicacid; |
Density: | 1.4 g/cm3 |
Melting Point: | 169 °C |
Boiling Point: | 457.6 °C at 760 mmHg |
Flash Point: | 230.5 °C |
PSA: | 55.12000 |
LogP: | 3.82980 |
What can I do for you?
Get Best Price
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