Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(S)-1-(4-Cyanophenyl)ethanol |
EINECS | N/A |
CAS No. | 101219-71-0 | Density | 1.124 g/cm3 |
PSA | 44.02000 | LogP | 1.61158 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9NO | Boiling Point | 291.337 °C at 760 mmHg |
Molecular Weight | 147.177 | Flash Point | 129.996 °C |
Transport Information | N/A | Appearance | White solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzonitrile,4-(1-hydroxyethyl)-, (S)-;(S)-4-(1-Hydroxyethyl)benzonitrile; |
Article Data | 176 |
The (S)-1-(4-Cyanophenyl)ethanol, with cas registry number 101219-71-0, belongs to the following product categories: (1)ACETYLGROUP; (2)Alcohols, Hydroxy Esters and Derivatives; (3)Chiral Compounds. Its systematic name and its IUPAC name are the same, which is 4-[(1S)-1-hydroxyethyl]benzonitrile.
Physical properties about this chemical are: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 44.02 Å2; (7)Index of Refraction: 1.556; (8)Molar Refractivity: 42.087 cm3; (9)Molar Volume: 130.953 cm3; (10)Polarizability: 16.685×10-24cm3; (11)Surface Tension: 48.929 dyne/cm; (12)Enthalpy of Vaporization: 56.054 kJ/mol; (13)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1)[C@@H](O)C
(2)InChI: InChI=1/C9H9NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,1H3/t7-/m0/s1
(3)InChIKey: XGAVOODMMBMCKV-ZETCQYMHBO
(4)Std. InChI: InChI=1S/C9H9NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,1H3/t7-/m0/s1
(5)Std. InChIKey: XGAVOODMMBMCKV-ZETCQYMHSA-N