Products Categories
CAS No.: | 125488-14-4 |
---|---|
Name: | 2,4-DICHLOROPHENACYL THIOCYANATE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H5Cl2NOS |
Molecular Weight: | 246.11 |
Synonyms: | 2,4-Dichlorophenacyl thiocyanate; |
Density: | 1.458 g/cm3 |
Melting Point: | 100-102 |
Boiling Point: | 382.9 °C at 760 mmHg |
Flash Point: | 185.4 °C |
Hazard Symbols: | Xi |
PSA: | 66.16000 |
LogP: | 3.39038 |
What can I do for you?
Get Best Price
The CAS registry number of Thiocyanicacid, 2-(2,4-dichlorophenyl)-2-oxoethyl ester is 125488-14-4. Its systematic name is 2-(2,4-dichlorophenyl)-2-oxoethyl thiocyanate. In addition, the molecular formula is C9H5Cl2NOS and the molecular weight is 246.11. What's more, it is a irritating chemical and should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 3.04; (2)ACD/LogD (pH 5.5): 3.04; (3)ACD/LogD (pH 7.4): 3.04; (4)ACD/BCF (pH 5.5): 119.62; (5)ACD/BCF (pH 7.4): 119.62; (6)ACD/KOC (pH 5.5): 1068.82; (7)ACD/KOC (pH 7.4): 1068.82; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 66.16 Å2; (11)Index of Refraction: 1.611; (12)Molar Refractivity: 58.61 cm3; (13)Molar Volume: 168.7 cm3; (14)Polarizability: 23.23 ×10-24cm3; (15)Surface Tension: 56.6 dyne/cm; (16)Density: 1.458 g/cm3; (17)Flash Point: 185.4 °C; (18)Enthalpy of Vaporization: 63.14 kJ/mol; (19)Boiling Point: 382.9 °C at 760 mmHg; (20)Vapour Pressure: 4.57E-06 mmHg at 25°C.
Uses of Thiocyanicacid, 2-(2,4-dichlorophenyl)-2-oxoethyl ester: it can react with N,N'-dimethyl-ethane-1,2-diamine to get N,N'-Bis[4-(2,4-dichloro-phenyl)-thiazol-2-yl]-N,N'-dimethyl-1,2-diaminoethane. This reaction will need reagent acetic acid and solvent ethanol. The reaction time is 2 hours by heating. The yield is about 35%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CSC#N)c1ccc(Cl)cc1Cl
(2)Std. InChI: InChI=1S/C9H5Cl2NOS/c10-6-1-2-7(8(11)3-6)9(13)4-14-5-12/h1-3H,4H2
(3)Std. InChIKey: XYNNFKLKIQXPHS-UHFFFAOYSA-N