Benzamide,3,5-dichloro-N-(1,1-dimethyl-2-propyn-1-yl)-

The Propyzamide, with the CAS registry number 23950-58-5 and EINECS registry number 245-951-4, has the systematic name of 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide. And the molecular formula of this chemical is C₁₂H₁₁Cl₂NO. It is a kind of white solid, and should be stored at 0-6°C. What's more, it is usually used as a selective herbicide.

The physical properties of Propyzamide are as following: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 345.9; (6)ACD/BCF (pH 7.4): 345.9; (7)ACD/KOC (pH 5.5): 2285.54; (8)ACD/KOC (pH 7.4): 2285.51; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 65.99 cm³; (15)Molar Volume: 203.5 cm³; (16)Polarizability: 26.16×10^-24cm³; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.258 g/cm³; (19)Flash Point: 160 °C; (20)Enthalpy of Vaporization: 58.45 kJ/mol; (21)Boiling Point: 340.9 °C at 760 mmHg; (22)Vapour Pressure: 8.35E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. And there's limited evidence of a carcinogenic effect. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves; This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(C(=O)NC(C#C)(C)C)cc(Cl)c1
(2)InChI: InChI=1/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
(3)InChIKey: PHNUZKMIPFFYSO-UHFFFAOYAS

The toxicity data is as follows: