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CAS No.: | 23389-75-5 |
---|---|
Name: | 1-PYRIDIN-4-YL-ETHANOL |
Article Data: | 77 |
Molecular Structure: | |
Formula: | C7H9NO |
Molecular Weight: | 123.155 |
Synonyms: | 4-Pyridinemethanol, a-methyl-; |
EINECS: | 245-630-9 |
Density: | 1.082 g/cm3 |
Melting Point: | 51-55 °C |
Boiling Point: | 239.7 °C at 760 mmHg |
Flash Point: | 98.8 °C |
Hazard Symbols: | T |
Safety: | 22-24/25 |
PSA: | 33.12000 |
LogP: | 1.13490 |
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The 1-(4-Pyridyl)ethanol, with the CAS registry number 23389-75-5, is also known as 4-Pyridinemethanol, a-methyl-. Its EINECS registry number is 245-630-9. This chemical's molecular formula is C7H9NO and molecular weight is 123.15. What's more, its IUPAC name is 1-Pyridin-4-ylethanol.
Physical properties about 1-(4-Pyridyl)ethanol are: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.6; (4)ACD/LogD (pH 7.4): -0.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.65; (8)ACD/KOC (pH 7.4): 20.21; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 35.43 cm3; (15)Molar Volume: 113.7 cm3; (16)Polarizability: 14.04×10-24 cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.082 g/cm3; (19)Flash Point: 98.8 °C; (20)Enthalpy of Vaporization: 50.37 kJ/mol; (21)Boiling Point: 239.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0215 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause damage to health at low levels. The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1ccncc1)C
(2) InChI: InChI=1/C7H9NO/c1-6(9)7-2-4-8-5-3-7/h2-6,9H,1H3
(3) InChIKey: HVOAMIOKNARIMR-UHFFFAOYAU