Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Acetylphenyl isothiocyanate |
EINECS | N/A |
CAS No. | 2131-57-9 | Density | 1.11g/cm3 |
PSA | 61.52000 | LogP | 2.62350 |
Solubility | 16.84mg/L(25 oC) | Melting Point |
82 °C |
Formula | C9H7NOS | Boiling Point | 319.6 °C at 760 mmHg |
Molecular Weight | 177.227 | Flash Point | 147.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | ||
Synonyms |
Isothiocyanicacid, p-acetylphenyl ester (6CI,7CI,8CI);Acetophenone, 4'-hydroxy-,isothiocyanate (8CI);1-(4-Isothiocyanatophenyl)ethanone;4-Acetylphenylisothiocyanate;NSC 51673;p-Acetylphenyl isothiocyanate; |
Article Data | 10 |
The 4-Acetylphenyl isothiocyanate with the cas number 2131-57-9, is also called 1-(4-isothiocyanatophenyl)ethanone. The properties of the chemical are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 61.52 Å2; (7)Index of Refraction: 1.576; (8)Molar Refractivity: 52.51 cm3; (9)Molar Volume: 158.6 cm3; (10)Polarizability: 20.81×10-24cm3; (11)Surface Tension: 37.9 dyne/cm; (12)Enthalpy of Vaporization: 56.12 kJ/mol; (13)Vapour Pressure: 0.000335 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:(1)Harmful by inhalation, in contact with skin and if swallowed; (2)Irritating to eyes, respiratory system and skin; (3)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (4)Wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C=N\c1ccc(cc1)C(=O)C
(2)InChI: InChI=1/C9H7NOS/c1-7(11)8-2-4-9(5-3-8)10-6-12/h2-5H,1H3