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Name |
1H-Pyrrole,1-(3-fluorophenyl)-2,5-dimethyl- |
EINECS | N/A |
CAS No. | 146135-21-9 | Density | 1.04 g/cm3 |
PSA | 4.93000 | LogP | 3.23320 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H12FN | Boiling Point | 272.1 °C at 760 mmHg |
Molecular Weight | 189.232 | Flash Point | 118.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(4-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrole; |
Article Data | 2 |
The 1H-Pyrrole,1-(3-fluorophenyl)-2,5-dimethyl-, with the CAS registry number 146135-21-9, is also known as 1-(4-Fluoro-phenyl)-2,5-dimethyl-1H-pyrrole. This chemical's molecular formula is C12H12FN and molecular weight is 189.2288. What's more, its systematic name is also called 1-(4-Fluorophenyl)-2,5-dimethyl-1H-pyrrole.
Physical properties about 1H-Pyrrole,1-(3-fluorophenyl)-2,5-dimethyl- are: (1)ACD/LogP: 4.05; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 4.05; (5)ACD/BCF (pH 5.5): 707; (6)ACD/BCF (pH 7.4): 707; (7)ACD/KOC (pH 5.5): 3812.56; (8)ACD/KOC (pH 7.4): 3812.56; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 56.2 cm3; (15)Molar Volume: 180.6 cm3; (16)Polarizability: 22.28×10-24 cm3; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 118.3 °C; (20)Enthalpy of Vaporization: 48.98 kJ/mol; (21)Boiling Point: 272.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0104 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1)n2c(ccc2C)C
(2) InChI: InChI=1/C12H12FN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3
(3) InChIKey: AIWFQKZWZOYVMK-UHFFFAOYAH