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CAS No.: | 846023-24-3 |
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Name: | 2-CYANO-N-(2,4-DICHLORO-5-METHOXYPHENYL) ACETAMIDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C10H8Cl2N2O2 |
Molecular Weight: | 259.092 |
Synonyms: | N-(2,4-Dichloro-5-methoxyphenyl)-2-cyanoacetamide; |
Density: | 1.436 g/cm3 |
Melting Point: | 180-181 °C(Solv: ethyl acetate (141-78-6)) |
Boiling Point: | 462.4 °C at 760 mmHg |
Flash Point: | 233.4 °C |
PSA: | 62.12000 |
LogP: | 2.92718 |
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The systematic name of this chemical is 2-Cyano-N-(2,4dichloro-5-methoxyphenyl)acetamide. With the CAS registry number 846023-24-3, it is also named as acetamide,2-cyano-N-(2,4-dichloro-5-methoxyphenyl)-. In addition, the molecular formula is C10H8Cl2N2O2 and the molecular weight is 259.09. It is a kind of pale yellow powder and should be stored in a cool and dry place.
Physical properties about 2-Cyano-N-(2,4dichloro-5-methoxyphenyl)acetamide are: (1)ACD/LogP: 1.95; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 13.58; (5)ACD/KOC (pH 7.4): 1.03; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 53.33 Å2; (10)Index of Refraction: 1.598; (11)Molar Refractivity: 61.53 cm3; (12)Molar Volume: 180.3 cm3; (13)Polarizability: 24.39 ×10-24cm3; (14)Surface Tension: 53.4 dyne/cm; (15)Density: 1.436 g/cm3; (16)Flash Point: 233.4 °C; (17)Enthalpy of Vaporization: 72.34 kJ/mol; (18)Boiling Point: 462.4 °C at 760 mmHg; (19)Vapour Pressure: 9.92E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)c(cc1OC)NC(=O)CC#N
(2)Std. InChI: InChI=1S/C10H8Cl2N2O2/c1-16-9-5-8(6(11)4-7(9)12)14-10(15)2-3-13/h4-5H,2H2,1H3,(H,14,15)
(3)Std. InChIKey: RPWHAQJEZWBZGX-UHFFFAOYSA-N