Basic Information | Post buying leads | Suppliers |
Name |
1H-Pyrazole-4-carboxylicacid, 1-(4-chlorophenyl)-5-propyl- |
EINECS | N/A |
CAS No. | 175137-17-4 | Density | 1.3g/cm3 |
PSA | 55.12000 | LogP | 3.17640 |
Solubility | N/A | Melting Point |
116 °C |
Formula | C13H13ClN2O2 | Boiling Point | 415 °C at 760 mmHg |
Molecular Weight | 264.71 | Flash Point | 204.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1-(4-Chlorophenyl)-5-propyl-1H-pyrazole-4-carboxylicacid; |
The 1H-Pyrazole-4-carboxylicacid, 1-(4-chlorophenyl)-5-propyl-, with CAS registry number 175137-17-4, has the systematic name of 1-(4-chlorophenyl)-5-propyl-1H-pyrazole-4-carboxylic acid. This chemical may cause inflammation to the skin or other mucous membranes. And the chemical formula of this chemical is C13H13ClN2O2.
Physical properties of 1H-Pyrazole-4-carboxylicacid, 1-(4-chlorophenyl)-5-propyl-: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 19.77; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 114.42; (8)ACD/KOC (pH 7.4): 3.72; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 70.48 cm3; (15)Molar Volume: 203.4 cm3; (16)Polarizability: 27.94×10-24cm3; (17)Surface Tension: 47.2 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 204.8 °C; (20)Enthalpy of Vaporization: 70.43 kJ/mol; (21)Boiling Point: 415 °C at 760 mmHg; (22)Vapour Pressure: 1.25E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(n1ncc(c1CCC)C(=O)O)cc2
(2)InChI: InChI=1/C13H13ClN2O2/c1-2-3-12-11(13(17)18)8-15-16(12)10-6-4-9(14)5-7-10/h4-8H,2-3H2,1H3,(H,17,18)
(3)InChIKey: RTLVBOYPVGHHGC-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C13H13ClN2O2/c1-2-3-12-11(13(17)18)8-15-16(12)10-6-4-9(14)5-7-10/h4-8H,2-3H2,1H3,(H,17,18)
(5)Std. InChIKey: RTLVBOYPVGHHGC-UHFFFAOYSA-N