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Name |
1H-Pyrazole-1-ethanol,4-bromo- |
EINECS | N/A |
CAS No. | 214614-81-0 | Density | 1.743 g/cm3 |
PSA | 38.05000 | LogP | 0.63790 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H7BrN2O | Boiling Point | 299.235 °C at 760 mmHg |
Molecular Weight | 191.027 | Flash Point | 134.773 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-(4-Bromo-1H-pyrazol-1-yl)ethanol;2-(4-Bromopyrazol-1-yl)ethanol; |
Article Data | 6 |
The 1H-Pyrazole-1-ethanol,4-bromo-, with the CAS registry number 214614-81-0, is also known as 2-(4-Bromo-1H-pyrazol-1-yl)ethanol. It belongs to the product categories of Building Blocks; Pyrazole. This chemical's molecular formula is C5H7BrN2O and molecular weight is 191.03. What's more, its IUPAC name is 2-(4-bromopyrazol-1-yl)ethanol. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.
Physical properties of 1H-Pyrazole-1-ethanol,4-bromo- are: (1)ACD/LogP: 0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 35; (8)ACD/KOC (pH 7.4): 35; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.05 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 38.454 cm3; (15)Molar Volume: 109.607 cm3; (16)Polarizability: 15.244×10-24cm3; (17)Surface Tension: 52.963 dyne/cm; (18)Density: 1.743 g/cm3; (19)Flash Point: 134.773 °C; (20)Enthalpy of Vaporization: 56.941 kJ/mol; (21)Boiling Point: 299.235 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnn(CCO)c1
(2)Std. InChI: InChI=1S/C5H7BrN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2
(3)Std. InChIKey: REUWXYIZJBMWPB-UHFFFAOYSA-N